5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide

C10H5Cl3N4O — CID 114052239

IUPAC5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccc(Cl)n1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl3N4O/c11-6-3-5(4-15-8(6)13)9(18)17-10-14-2-1-7(12)16-10/h1-4H,(H,14,16,17,18)
InChIKeyHWGSUKFQJQDFMH-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.08
Rot. Bonds2

About 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide

5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide (PubChem CID 114052239) has the molecular formula C10H5Cl3N4O and a molecular weight of 303.54 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide
PubChem CID114052239
Molecular FormulaC10H5Cl3N4O
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccc(Cl)n1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl3N4O/c11-6-3-5(4-15-8(6)13)9(18)17-10-14-2-1-7(12)16-10/h1-4H,(H,14,16,17,18)
InChIKeyHWGSUKFQJQDFMH-UHFFFAOYSA-N
XLogP3.08
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide 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

2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5-amino-N-(4-chloropyrimidin-2-yl)pyridine-2-carboxamide
CID 114052185
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
5,6-dichloro-N-(6-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 113462599
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
2-amino-5-bromo-N-(4-chloropyrimidin-2-yl)pyridine-4-carboxamide
CID 114194072
5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
CID 143700585
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide (CID 114052239) is 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide is O=C(Nc1nccc(Cl)n1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide?
The InChIKey is HWGSUKFQJQDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N4O/c11-6-3-5(4-15-8(6)13)9(18)17-10-14-2-1-7(12)16-10/h1-4H,(H,14,16,17,18).
What are the key properties of 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide?
5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide has a molecular weight of 303.54 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114052239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).