6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide

C12H8Cl2N2O2 — CID 113226989

IUPAC6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-5-8(2-3-10(9)17)16-12(18)7-1-4-11(14)15-6-7/h1-6,17H,(H,16,18)
InChIKeySHVDNXCECGVEBB-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.35
Rot. Bonds2

About 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide

6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 113226989) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID113226989
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-5-8(2-3-10(9)17)16-12(18)7-1-4-11(14)15-6-7/h1-6,17H,(H,16,18)
InChIKeySHVDNXCECGVEBB-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide (CID 113226989) is 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is SHVDNXCECGVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-5-8(2-3-10(9)17)16-12(18)7-1-4-11(14)15-6-7/h1-6,17H,(H,16,18).
What are the key properties of 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide?
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 283.11 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 113226989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).