2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid

C13H12N2O3 — CID 506612

IUPAC2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2cccnc2)cc1O
InChIInChI=1S/C13H12N2O3/c16-12-6-10(3-4-11(12)13(17)18)15-8-9-2-1-5-14-7-9/h1-7,15-16H,8H2,(H,17,18)
InChIKeyFYMGSLICIHJBAO-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.10
Rot. Bonds4

About 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid

2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid (PubChem CID 506612) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid
PubChem CID506612
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2cccnc2)cc1O
InChIInChI=1S/C13H12N2O3/c16-12-6-10(3-4-11(12)13(17)18)15-8-9-2-1-5-14-7-9/h1-7,15-16H,8H2,(H,17,18)
InChIKeyFYMGSLICIHJBAO-UHFFFAOYSA-N
XLogP2.10
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid (CID 506612) is 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid is O=C(O)c1ccc(NCc2cccnc2)cc1O.
What is the InChIKey of 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid?
The InChIKey is FYMGSLICIHJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12-6-10(3-4-11(12)13(17)18)15-8-9-2-1-5-14-7-9/h1-7,15-16H,8H2,(H,17,18).
What are the key properties of 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid?
2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(pyridin-3-ylmethylamino)benzoic acid is sourced from PubChem (CID 506612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).