5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid

C13H10Cl2N2O3 — CID 86292288

IUPAC5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2cc(Cl)cc(O)c2Cl)cn1
InChIInChI=1S/C13H10Cl2N2O3/c14-8-3-7(12(15)11(18)4-8)5-16-9-1-2-10(13(19)20)17-6-9/h1-4,6,16,18H,5H2,(H,19,20)
InChIKeyDPZDAGUTIBDQKZ-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.40
Rot. Bonds4

About 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid

5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 86292288) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID86292288
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2cc(Cl)cc(O)c2Cl)cn1
InChIInChI=1S/C13H10Cl2N2O3/c14-8-3-7(12(15)11(18)4-8)5-16-9-1-2-10(13(19)20)17-6-9/h1-4,6,16,18H,5H2,(H,19,20)
InChIKeyDPZDAGUTIBDQKZ-UHFFFAOYSA-N
XLogP3.40
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490955
5-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]pyridine-2-carboxylic acid
CID 104703042
N-(3-chloro-4-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189536
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
5-acetamidopyridine-2-carboxylic acid
CID 5278292
2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
CID 43675306
5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid (CID 86292288) is 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2cc(Cl)cc(O)c2Cl)cn1.
What is the InChIKey of 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is DPZDAGUTIBDQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c14-8-3-7(12(15)11(18)4-8)5-16-9-1-2-10(13(19)20)17-6-9/h1-4,6,16,18H,5H2,(H,19,20).
What are the key properties of 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid?
5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 313.14 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichloro-3-hydroxyphenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 86292288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).