2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid

C17H15ClN2O3 — CID 53224480

IUPAC2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)cnc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-15-14(17(22)23)9-13(10-19-15)11-4-3-5-12(8-11)16(21)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2,(H,22,23)
InChIKeySIGIRZUIACRVOC-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid

2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224480) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53224480
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)cnc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-15-14(17(22)23)9-13(10-19-15)11-4-3-5-12(8-11)16(21)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2,(H,22,23)
InChIKeySIGIRZUIACRVOC-UHFFFAOYSA-N
XLogP3.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-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-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855
[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
CID 143483937
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid (CID 53224480) is 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)cnc1Cl.
What is the InChIKey of 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is SIGIRZUIACRVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-15-14(17(22)23)9-13(10-19-15)11-4-3-5-12(8-11)16(21)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2,(H,22,23).
What are the key properties of 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid?
2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 330.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).