6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid

C24H20ClNO3 — CID 11246752

IUPAC6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2=C(c3cccc(OCc4ccccc4Cl)c3)CCC2)n1
InChIInChI=1S/C24H20ClNO3/c25-21-11-2-1-6-17(21)15-29-18-8-3-7-16(14-18)19-9-4-10-20(19)22-12-5-13-23(26-22)24(27)28/h1-3,5-8,11-14H,4,9-10,15H2,(H,27,28)
InChIKeyCWQRSRQPBPOENP-UHFFFAOYSA-N
MW405.88 g/mol
LogP6.11
Rot. Bonds6

About 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid

6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid (PubChem CID 11246752) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
PubChem CID11246752
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2=C(c3cccc(OCc4ccccc4Cl)c3)CCC2)n1
InChIInChI=1S/C24H20ClNO3/c25-21-11-2-1-6-17(21)15-29-18-8-3-7-16(14-18)19-9-4-10-20(19)22-12-5-13-23(26-22)24(27)28/h1-3,5-8,11-14H,4,9-10,15H2,(H,27,28)
InChIKeyCWQRSRQPBPOENP-UHFFFAOYSA-N
XLogP6.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21112867
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
CID 11461037
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 162114702
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593144
[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46165575
6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid
CID 11362994
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid (CID 11246752) is 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C2=C(c3cccc(OCc4ccccc4Cl)c3)CCC2)n1.
What is the InChIKey of 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?
The InChIKey is CWQRSRQPBPOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c25-21-11-2-1-6-17(21)15-29-18-8-3-7-16(14-18)19-9-4-10-20(19)22-12-5-13-23(26-22)24(27)28/h1-3,5-8,11-14H,4,9-10,15H2,(H,27,28).
What are the key properties of 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?
6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid has a molecular weight of 405.88 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 11246752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).