2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine

C96H133Cl2FN10O — CID 158827266

IUPAC2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C9H13NO.6C9H13N.C9H12.2C8H10ClN.C8H10FN/c1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-4-3-7(9)5-10-8/h4-7H,1-3H3;6*4-7H,1-3H3;3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyIWPLWUJBFJAHKC-UHFFFAOYSA-N
MW1533.09 g/mol
LogP28.17
Rot. Bonds12

About 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine

2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine (PubChem CID 158827266) has the molecular formula C96H133Cl2FN10O and a molecular weight of 1533.09 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine
PubChem CID158827266
Molecular FormulaC96H133Cl2FN10O
Molecular Weight1533.09 g/mol
Exact Mass1531.00
IUPAC Name2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C9H13NO.6C9H13N.C9H12.2C8H10ClN.C8H10FN/c1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-4-3-7(9)5-10-8/h4-7H,1-3H3;6*4-7H,1-3H3;3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyIWPLWUJBFJAHKC-UHFFFAOYSA-N
XLogP28.17
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.09
LogP ≤ 528.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

6-[2-Chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 146206944
6-[2-Chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146206945
2-(6-Fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine
CID 102169169
2-(6-Fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine
CID 138963270
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine
CID 58521645
3-(3-Chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 86304430
3-(3-Chlorophenyl)-2-(difluoromethoxy)-5-[(6-methylpyridin-3-yl)methyl]pyridine
CID 86304918
3-(3-Chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine
CID 90417189
5-[(6-Tert-butylpyridin-3-yl)methyl]-3-(3-chlorophenyl)-2-(difluoromethoxy)pyridine
CID 90440721
3-(3-Chlorophenyl)-2-methoxy-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 117653291
6-[6-[2-[2-[4-Chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile
CID 123807704
5-Chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine
CID 135246519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine?
The IUPAC name of 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine (CID 158827266) is 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine.
What is the SMILES notation for 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine?
The canonical SMILES for 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine is CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine?
The InChIKey is IWPLWUJBFJAHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.6C9H13N.C9H12.2C8H10ClN.C8H10FN/c1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-4-3-7(9)5-10-8/h4-7H,1-3H3;6*4-7H,1-3H3;3-8H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine?
2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine has a molecular weight of 1533.09 g/mol, XLogP of 28.17, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine is sourced from PubChem (CID 158827266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).