2-hydroxy-1,2-dihydropyridine-5-carboxylic acid

C6H7NO3 — CID 74892803

IUPAC2-hydroxy-1,2-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=CNC(O)C=C1
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3,5,7-8H,(H,9,10)
InChIKeyYRJRXZCXZNTOEG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.57
Rot. Bonds1

About 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid

2-hydroxy-1,2-dihydropyridine-5-carboxylic acid (PubChem CID 74892803) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-1,2-dihydropyridine-5-carboxylic acid
PubChem CID74892803
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-hydroxy-1,2-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=CNC(O)C=C1
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3,5,7-8H,(H,9,10)
InChIKeyYRJRXZCXZNTOEG-UHFFFAOYSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid
CID 155153021
4-hydroxy-3-methoxycyclohexa-1,5-diene-1-carboxylic acid
CID 138623598
5-acetyl-3a,7a-dihydro-1H-indole-3-carboxylic acid
CID 112713295
methyl 2-chloro-1,2-dihydropyridine-5-carboxylate
CID 138482360
2,3,3a,7a-tetrahydro-1H-indazole-5-carboxylic acid
CID 22402956
1H-azepine-3-carboxylic acid;hydroiodide
CID 139782631
(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy(113C)cyclohexa-1,5-diene-1-carboxylic acid
CID 10751803
3-methyl-3H-azepine-6-carboxylic acid
CID 148934868
6,6-dichloro-1H-pyridine-3-carboxylic acid
CID 151099471
2,7-dimethyl-2H-azepine-5-carboxylic acid
CID 144975741
CID 173064458
CID 173064458
4-borono-3-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 144886658

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid?
The IUPAC name of 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid (CID 74892803) is 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid is O=C(O)C1=CNC(O)C=C1.
What is the InChIKey of 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid?
The InChIKey is YRJRXZCXZNTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3,5,7-8H,(H,9,10).
What are the key properties of 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid?
2-hydroxy-1,2-dihydropyridine-5-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 74892803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).