2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid

C12H14N2O3 — CID 97033317

IUPAC2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid
SMILESO=C1CCCC[C@H](c2cc(C(=O)O)ccn2)N1
InChIInChI=1S/C12H14N2O3/c15-11-4-2-1-3-9(14-11)10-7-8(12(16)17)5-6-13-10/h5-7,9H,1-4H2,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyRDHCEJBLPRCBPF-SECBINFHSA-N
MW234.25 g/mol
LogP1.51
Rot. Bonds2

About 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid

2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid (PubChem CID 97033317) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid
PubChem CID97033317
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid
SMILESO=C1CCCC[C@H](c2cc(C(=O)O)ccn2)N1
InChIInChI=1S/C12H14N2O3/c15-11-4-2-1-3-9(14-11)10-7-8(12(16)17)5-6-13-10/h5-7,9H,1-4H2,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyRDHCEJBLPRCBPF-SECBINFHSA-N
XLogP1.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid
CID 27331603
2-[(1S,2Z)-2-(phenylcarbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylic acid
CID 27331592
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)pyridine-4-carboxamide
CID 127816376
benzene-1,3-dicarboxylic acid;pyrrolidin-2-one
CID 174301063
2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid
CID 130665479
2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
CID 76901427

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid (CID 97033317) is 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid is O=C1CCCC[C@H](c2cc(C(=O)O)ccn2)N1.
What is the InChIKey of 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid?
The InChIKey is RDHCEJBLPRCBPF-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-4-2-1-3-9(14-11)10-7-8(12(16)17)5-6-13-10/h5-7,9H,1-4H2,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid?
2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 97033317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).