(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

C15H14FN3O2 — CID 72848072

IUPAC(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ncccc2F)C[C@H]1c1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-12-4-3-7-18-14(12)19-8-10(11(9-19)15(20)21)13-5-1-2-6-17-13/h1-7,10-11H,8-9H2,(H,20,21)/t10-,11-/m1/s1
InChIKeyJLVVRJYWRXMTOU-GHMZBOCLSA-N
MW287.29 g/mol
LogP1.92
Rot. Bonds3

About (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 72848072) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID72848072
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ncccc2F)C[C@H]1c1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-12-4-3-7-18-14(12)19-8-10(11(9-19)15(20)21)13-5-1-2-6-17-13/h1-7,10-11H,8-9H2,(H,20,21)/t10-,11-/m1/s1
InChIKeyJLVVRJYWRXMTOU-GHMZBOCLSA-N
XLogP1.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-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

(3S*,4R*)-1-[(2-aminopyridin-3-yl)methyl]-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70776904
3-[4-[6-[4-(2-Pyrrolidin-1-ylethyl)piperazin-1-yl]-3-pyridinyl]phenyl]propanoic acid
CID 172437931
(3S*,4S*)-1-(morpholin-4-ylcarbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70761795
(3R)-3-(cyclopropylmethyl)-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
CID 97144952
methyl (3R,4S)-4-(2,4-difluorophenyl)-1-pyridin-2-ylpyrrolidine-3-carboxylate
CID 121547226
6-[3-(Trifluoromethyl)pyridin-2-yl]-6-azaspiro[3.4]octane-8-carboxylic acid
CID 122160551
6-[4-(Trifluoromethyl)pyridin-2-yl]-6-azaspiro[3.4]octane-8-carboxylic acid
CID 122160552
6-(6-(Trifluoromethyl)pyridin-2-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
CID 122160553
(8R)-6-[4-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid
CID 129524080
(3S*,4R*)-1-{[6-(dimethylamino)pyridin-3-yl]methyl}-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 133117788
3-(3-Fluorophenyl)-4-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazol-1-yl]butanoic acid
CID 10224057
5'-[6-(4-Fluoro-phenyl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic Acid
CID 11510939

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (CID 72848072) is (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(c2ncccc2F)C[C@H]1c1ccccn1.
What is the InChIKey of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is JLVVRJYWRXMTOU-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-4-3-7-18-14(12)19-8-10(11(9-19)15(20)21)13-5-1-2-6-17-13/h1-7,10-11H,8-9H2,(H,20,21)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72848072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).