4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid

C12H12N2O3 — CID 114412276

IUPAC4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CC=CCC2)ccn1
InChIInChI=1S/C12H12N2O3/c15-11(14-6-2-1-3-7-14)9-4-5-13-10(8-9)12(16)17/h1-2,4-5,8H,3,6-7H2,(H,16,17)
InChIKeyGGTQRUDKALJDNO-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid

4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 114412276) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID114412276
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CC=CCC2)ccn1
InChIInChI=1S/C12H12N2O3/c15-11(14-6-2-1-3-7-14)9-4-5-13-10(8-9)12(16)17/h1-2,4-5,8H,3,6-7H2,(H,16,17)
InChIKeyGGTQRUDKALJDNO-UHFFFAOYSA-N
XLogP1.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 106316266
3-(3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 114412273
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 113352940
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
CID 141178396
(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115969934
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid (CID 114412276) is 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N2CC=CCC2)ccn1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is GGTQRUDKALJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11(14-6-2-1-3-7-14)9-4-5-13-10(8-9)12(16)17/h1-2,4-5,8H,3,6-7H2,(H,16,17).
What are the key properties of 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114412276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).