4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid

C18H12Cl2N2O3 — CID 164853828

IUPAC4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1O
InChIInChI=1S/C18H12Cl2N2O3/c19-15-4-2-12(7-16(15)20)22-13-5-11(8-21-9-13)10-1-3-14(18(24)25)17(23)6-10/h1-9,22-23H,(H,24,25)
InChIKeyXCYJOCADISKZJA-UHFFFAOYSA-N
MW375.21 g/mol
LogP5.20
Rot. Bonds4

About 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid

4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid (PubChem CID 164853828) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid
PubChem CID164853828
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Name4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1O
InChIInChI=1S/C18H12Cl2N2O3/c19-15-4-2-12(7-16(15)20)22-13-5-11(8-21-9-13)10-1-3-14(18(24)25)17(23)6-10/h1-9,22-23H,(H,24,25)
InChIKeyXCYJOCADISKZJA-UHFFFAOYSA-N
XLogP5.20
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.21
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
CID 53228500
2-hydroxy-4-pyridin-4-ylbenzoic acid
CID 22710668
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid
CID 162757147
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
3-[5-(4-chloroanilino)-3-pyridinyl]benzamide
CID 68952480
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid (CID 164853828) is 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1O.
What is the InChIKey of 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid?
The InChIKey is XCYJOCADISKZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c19-15-4-2-12(7-16(15)20)22-13-5-11(8-21-9-13)10-1-3-14(18(24)25)17(23)6-10/h1-9,22-23H,(H,24,25).
What are the key properties of 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid?
4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid has a molecular weight of 375.21 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dichloroanilino)-3-pyridinyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 164853828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).