6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid

C18H16ClNO3 — CID 21113006

IUPAC6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1C1=C(c2cccc(C(=O)O)n2)CCC1
InChIInChI=1S/C18H16ClNO3/c1-23-17-9-8-11(19)10-14(17)12-4-2-5-13(12)15-6-3-7-16(20-15)18(21)22/h3,6-10H,2,4-5H2,1H3,(H,21,22)
InChIKeyCSYIDTJJHILZFY-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.54
Rot. Bonds4

About 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid

6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid (PubChem CID 21113006) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
PubChem CID21113006
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1C1=C(c2cccc(C(=O)O)n2)CCC1
InChIInChI=1S/C18H16ClNO3/c1-23-17-9-8-11(19)10-14(17)12-4-2-5-13(12)15-6-3-7-16(20-15)18(21)22/h3,6-10H,2,4-5H2,1H3,(H,21,22)
InChIKeyCSYIDTJJHILZFY-UHFFFAOYSA-N
XLogP4.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.54
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
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
(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 58887654
sodium 6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylate
CID 59808916
fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033766
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
CID 24730144
ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 143034040
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
6-[2-[2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 11775463
6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid
CID 11362994
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
6-(3-chlorophenyl)-5-methoxypyridine-2-carboxylic acid
CID 71087250

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid (CID 21113006) is 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid is COc1ccc(Cl)cc1C1=C(c2cccc(C(=O)O)n2)CCC1.
What is the InChIKey of 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
The InChIKey is CSYIDTJJHILZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-23-17-9-8-11(19)10-14(17)12-4-2-5-13(12)15-6-3-7-16(20-15)18(21)22/h3,6-10H,2,4-5H2,1H3,(H,21,22).
What are the key properties of 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid?
6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid has a molecular weight of 329.78 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21113006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).