2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene

C122H190Cl2F2N6O2 — CID 159568173

IUPAC2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene
SMILESCC.CC.CC.CC.CC.CC(C)CCCOc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(Cl)cn1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccc(F)nc1.CC(C)Cc1ccnc(Cl)c1.COc1ncccc1CC(C)C.Cc1ccc(CC(C)C)cn1
InChIInChI=1S/C12H18O.4C11H16.C10H15NO.C10H15N.2C9H12ClN.2C9H12FN.5C2H6/c1-11(2)7-6-10-13-12-8-4-3-5-9-12;4*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-5-4-6-11-10(9)12-3;1-8(2)6-10-5-4-9(3)11-7-10;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-11-9(10)6-8;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-9(10)11-6-8;5*1-2/h3-5,8-9,11H,6-7,10H2,1-2H3;4*3-7,10H,8-9H2,1-2H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;4*3-4,6-7H,5H2,1-2H3;5*1-2H3
InChIKeyMHLVKSWUZAUATH-UHFFFAOYSA-N
MW1881.80 g/mol
LogP37.32
Rot. Bonds30

About 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene

2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene (PubChem CID 159568173) has the molecular formula C122H190Cl2F2N6O2 and a molecular weight of 1881.80 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene
PubChem CID159568173
Molecular FormulaC122H190Cl2F2N6O2
Molecular Weight1881.80 g/mol
Exact Mass1879.43
IUPAC Name2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene
SMILESCC.CC.CC.CC.CC.CC(C)CCCOc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(Cl)cn1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccc(F)nc1.CC(C)Cc1ccnc(Cl)c1.COc1ncccc1CC(C)C.Cc1ccc(CC(C)C)cn1
InChIInChI=1S/C12H18O.4C11H16.C10H15NO.C10H15N.2C9H12ClN.2C9H12FN.5C2H6/c1-11(2)7-6-10-13-12-8-4-3-5-9-12;4*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-5-4-6-11-10(9)12-3;1-8(2)6-10-5-4-9(3)11-7-10;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-11-9(10)6-8;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-9(10)11-6-8;5*1-2/h3-5,8-9,11H,6-7,10H2,1-2H3;4*3-7,10H,8-9H2,1-2H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;4*3-4,6-7H,5H2,1-2H3;5*1-2H3
InChIKeyMHLVKSWUZAUATH-UHFFFAOYSA-N
XLogP37.32
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001881.80
LogP ≤ 537.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene with MolForge

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Related Compounds

5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine
CID 57968081
2-[4-[4-[(4-Chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383331
5'-Chloro-2'-fluoro-6-(3-fluorobenzyloxy)-2,4'-bipyridine
CID 66936903
2-Chloro-5-[2-(4-pentylphenyl)ethyl]pyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine
CID 88528371
2-Chloro-5-[4-(4-ethoxyphenyl)-2-(4-pentylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]butyl]pyridine
CID 88528373
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 121412876
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 121412949
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 121412959
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 121413124
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 121413269
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 121413324
(2S)-1,2-bis(4-chlorophenyl)-N,N'-bis[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene?
The IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene (CID 159568173) is 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene.
What is the SMILES notation for 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene?
The canonical SMILES for 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene is CC.CC.CC.CC.CC.CC(C)CCCOc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(Cl)cn1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccc(F)nc1.CC(C)Cc1ccnc(Cl)c1.COc1ncccc1CC(C)C.Cc1ccc(CC(C)C)cn1.
What is the InChIKey of 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene?
The InChIKey is MHLVKSWUZAUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.4C11H16.C10H15NO.C10H15N.2C9H12ClN.2C9H12FN.5C2H6/c1-11(2)7-6-10-13-12-8-4-3-5-9-12;4*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-5-4-6-11-10(9)12-3;1-8(2)6-10-5-4-9(3)11-7-10;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-11-9(10)6-8;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-9(10)11-6-8;5*1-2/h3-5,8-9,11H,6-7,10H2,1-2H3;4*3-7,10H,8-9H2,1-2H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;4*3-4,6-7H,5H2,1-2H3;5*1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene?
2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene has a molecular weight of 1881.80 g/mol, XLogP of 37.32, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropyl)pyridine;5-chloro-2-(2-methylpropyl)pyridine;ethane;2-fluoro-5-(2-methylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methoxy-3-(2-methylpropyl)pyridine;tetrakis(3-methylbutylbenzene);2-methyl-5-(2-methylpropyl)pyridine;4-methylpentoxybenzene is sourced from PubChem (CID 159568173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).