3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide

C12H6Cl3FN2O — CID 26364309

IUPAC3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3FN2O/c13-7-2-4-10(15)18-11(7)12(19)17-9-3-1-6(16)5-8(9)14/h1-5H,(H,17,19)
InChIKeyVKRPEAWSBVDSDS-UHFFFAOYSA-N
MW319.55 g/mol
LogP4.43
Rot. Bonds2

About 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 26364309) has the molecular formula C12H6Cl3FN2O and a molecular weight of 319.55 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
PubChem CID26364309
Molecular FormulaC12H6Cl3FN2O
Molecular Weight319.55 g/mol
Exact Mass317.95
IUPAC Name3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3FN2O/c13-7-2-4-10(15)18-11(7)12(19)17-9-3-1-6(16)5-8(9)14/h1-5H,(H,17,19)
InChIKeyVKRPEAWSBVDSDS-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-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

3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 26719813
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103867824
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
3-[(3,6-dichloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 60748759
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
CID 61052606
6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 103874071
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 62239457
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide (CID 26364309) is 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is VKRPEAWSBVDSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3FN2O/c13-7-2-4-10(15)18-11(7)12(19)17-9-3-1-6(16)5-8(9)14/h1-5H,(H,17,19).
What are the key properties of 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 319.55 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26364309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).