4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid

C11H12N2O2 — CID 68934362

IUPAC4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=CC(C2=CC=CNC2)=CC1
InChIInChI=1S/C11H12N2O2/c14-11(15)13-6-3-9(4-7-13)10-2-1-5-12-8-10/h1-6,12H,7-8H2,(H,14,15)
InChIKeyURGGQZZPCTYYQO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.46
Rot. Bonds1

About 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid

4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid (PubChem CID 68934362) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid
PubChem CID68934362
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=CC(C2=CC=CNC2)=CC1
InChIInChI=1S/C11H12N2O2/c14-11(15)13-6-3-9(4-7-13)10-2-1-5-12-8-10/h1-6,12H,7-8H2,(H,14,15)
InChIKeyURGGQZZPCTYYQO-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid (CID 68934362) is 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid is O=C(O)N1C=CC(C2=CC=CNC2)=CC1.
What is the InChIKey of 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid?
The InChIKey is URGGQZZPCTYYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(15)13-6-3-9(4-7-13)10-2-1-5-12-8-10/h1-6,12H,7-8H2,(H,14,15).
What are the key properties of 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid?
4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 68934362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).