1-methylcyclopenta[b]pyridine-5-carboxylic acid

C10H9NO2 — CID 122374341

IUPAC1-methylcyclopenta[b]pyridine-5-carboxylic acid
SMILESCn1cccc2c(C(=O)O)ccc1-2
InChIInChI=1S/C10H9NO2/c1-11-6-2-3-7-8(10(12)13)4-5-9(7)11/h2-6H,1H3,(H,12,13)
InChIKeySVTDSLBSVBTPDH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.83
Rot. Bonds1

About 1-methylcyclopenta[b]pyridine-5-carboxylic acid

1-methylcyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 122374341) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methylcyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-methylcyclopenta[b]pyridine-5-carboxylic acid
PubChem CID122374341
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-methylcyclopenta[b]pyridine-5-carboxylic acid
SMILESCn1cccc2c(C(=O)O)ccc1-2
InChIInChI=1S/C10H9NO2/c1-11-6-2-3-7-8(10(12)13)4-5-9(7)11/h2-6H,1H3,(H,12,13)
InChIKeySVTDSLBSVBTPDH-UHFFFAOYSA-N
XLogP1.83
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid
CID 84724427
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
acetylene;2-phenylbenzoic acid
CID 67726329
1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole
CID 141150269
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one
CID 10058012
1-[4-(1-methylpyrrol-2-yl)phenyl]ethanone
CID 84668969
5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222147
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 1-methylcyclopenta[b]pyridine-5-carboxylic acid (CID 122374341) is 1-methylcyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-methylcyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-methylcyclopenta[b]pyridine-5-carboxylic acid is Cn1cccc2c(C(=O)O)ccc1-2.
What is the InChIKey of 1-methylcyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is SVTDSLBSVBTPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-11-6-2-3-7-8(10(12)13)4-5-9(7)11/h2-6H,1H3,(H,12,13).
What are the key properties of 1-methylcyclopenta[b]pyridine-5-carboxylic acid?
1-methylcyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 122374341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).