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

C11H12N2O2 — CID 114410062

IUPAC4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CC=CCC1
InChIInChI=1S/C11H12N2O2/c14-11(15)9-8-12-5-4-10(9)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2,(H,14,15)
InChIKeyKSMSYZFOLGDNCB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.55
Rot. Bonds2

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

4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid (PubChem CID 114410062) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
PubChem CID114410062
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CC=CCC1
InChIInChI=1S/C11H12N2O2/c14-11(15)9-8-12-5-4-10(9)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2,(H,14,15)
InChIKeyKSMSYZFOLGDNCB-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.55
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

3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 114412429
[4-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412368
4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
CID 114410115
2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluorobenzoic acid
CID 114411185
4-(4-tert-butylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81233072
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81244268
4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 113402381
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid
CID 81244232

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid (CID 114410062) is 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1N1CC=CCC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is KSMSYZFOLGDNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(15)9-8-12-5-4-10(9)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2,(H,14,15).
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid?
4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.55, 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-pyridin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114410062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).