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

C12H7Cl2FN2O — CID 26719813

IUPAC3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2FN2O/c13-9-4-5-10(14)17-11(9)12(18)16-8-3-1-2-7(15)6-8/h1-6H,(H,16,18)
InChIKeyDXLFSJNIERIDIC-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.78
Rot. Bonds2

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

3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide (PubChem CID 26719813) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
PubChem CID26719813
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2FN2O/c13-9-4-5-10(14)17-11(9)12(18)16-8-3-1-2-7(15)6-8/h1-6H,(H,16,18)
InChIKeyDXLFSJNIERIDIC-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26721473
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103867824
3,6-dichloro-N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 26783735
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide (CID 26719813) is 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1cccc(F)c1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is DXLFSJNIERIDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-9-4-5-10(14)17-11(9)12(18)16-8-3-1-2-7(15)6-8/h1-6H,(H,16,18).
What are the key properties of 3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 285.11 g/mol, XLogP of 3.78, 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-(3-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26719813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).