4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid

C13H10Cl2N2O3 — CID 86292283

IUPAC4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NCc2cc(Cl)cc(Cl)n2)cc1O
InChIInChI=1S/C13H10Cl2N2O3/c14-7-3-9(17-12(15)4-7)6-16-8-1-2-10(13(19)20)11(18)5-8/h1-5,16,18H,6H2,(H,19,20)
InChIKeyNQZXWNHISPEDKW-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.40
Rot. Bonds4

About 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid

4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid (PubChem CID 86292283) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid
PubChem CID86292283
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NCc2cc(Cl)cc(Cl)n2)cc1O
InChIInChI=1S/C13H10Cl2N2O3/c14-7-3-9(17-12(15)4-7)6-16-8-1-2-10(13(19)20)11(18)5-8/h1-5,16,18H,6H2,(H,19,20)
InChIKeyNQZXWNHISPEDKW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
CID 168579616
2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid
CID 19624603
4-(3-chloropropylamino)-2-hydroxybenzoic acid
CID 71775574
2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624610
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
2-chloro-4-(pyridin-4-ylmethylamino)benzoic acid
CID 17058958
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
4-[(3-chlorophenyl)methylamino]phthalic acid
CID 67019673
7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 142938430
2-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]benzoic acid
CID 114452545
4-(dodecylamino)-2-hydroxybenzoic acid
CID 150878020
2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid
CID 86575516

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid (CID 86292283) is 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NCc2cc(Cl)cc(Cl)n2)cc1O.
What is the InChIKey of 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid?
The InChIKey is NQZXWNHISPEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c14-7-3-9(17-12(15)4-7)6-16-8-1-2-10(13(19)20)11(18)5-8/h1-5,16,18H,6H2,(H,19,20).
What are the key properties of 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid?
4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic 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 4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 86292283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).