3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane

C171H252Br2ClN13O5 — CID 157075670

IUPAC3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane
SMILESC.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1ncccc1N.COc1cc(C(C)(C)C)ccn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/3C11H16O.C11H16.2C10H15NO.6C10H15N.C10H14.C9H11BrClN.C9H12BrN.C9H14N2.C9H13N.CH4/c1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;/h2*5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;2*5-7H,1-4H3;5*5-7H,1-4H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3;1H4
InChIKeyACYHJMDXODVBGL-UHFFFAOYSA-N
MW2765.24 g/mol
LogP47.43
Rot. Bonds5

About 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane

3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane (PubChem CID 157075670) has the molecular formula C171H252Br2ClN13O5 and a molecular weight of 2765.24 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane
PubChem CID157075670
Molecular FormulaC171H252Br2ClN13O5
Molecular Weight2765.24 g/mol
Exact Mass2760.79
IUPAC Name3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane
SMILESC.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1ncccc1N.COc1cc(C(C)(C)C)ccn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/3C11H16O.C11H16.2C10H15NO.6C10H15N.C10H14.C9H11BrClN.C9H12BrN.C9H14N2.C9H13N.CH4/c1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;/h2*5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;2*5-7H,1-4H3;5*5-7H,1-4H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3;1H4
InChIKeyACYHJMDXODVBGL-UHFFFAOYSA-N
XLogP47.43
TPSA250.98 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002765.24
LogP ≤ 547.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

3-Bromo-2-chloropyridine;3-bromo-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine;methane;(2-methoxyphenyl)boronic acid;3-(2-methoxyphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine;6-(trifluoromethyl)pyridin-3-amine
CID 161293157
5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158362055
Benzyl 4-tert-butylpiperidine-1-carboxylate;1-bromo-2-tert-butylbenzene;2-tert-butyl-6-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;(3-tert-butyl-2-methylphenyl)methanol;4-tert-butyloxane;4-tert-butylquinoline
CID 158481639
2-Tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine
CID 158519035
5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline
CID 159889097
3-Bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol
CID 160767826
1-bromo-3-methoxybenzene;4-[chloro-(3-methoxyphenyl)methyl]quinoline;4-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methyl]quinoline;4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]quinoline;(3-methoxyphenyl)-quinolin-4-ylmethanol;thionyl dichloride
CID 161865550

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane?
The IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane (CID 157075670) is 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane.
What is the SMILES notation for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane?
The canonical SMILES for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane is C.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1ncccc1N.COc1cc(C(C)(C)C)ccn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane?
The InChIKey is ACYHJMDXODVBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H16O.C11H16.2C10H15NO.6C10H15N.C10H14.C9H11BrClN.C9H12BrN.C9H14N2.C9H13N.CH4/c1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;/h2*5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;2*5-7H,1-4H3;5*5-7H,1-4H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3;1H4.
What are the key properties of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane?
3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane has a molecular weight of 2765.24 g/mol, XLogP of 47.43, 5 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane is sourced from PubChem (CID 157075670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).