2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide

C13H10Cl2N2O — CID 2800027

IUPAC2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-4-2-3-5-11(8)17-13(18)10-6-9(14)7-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyDJKOHSNRJCXNJF-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.95
Rot. Bonds2

About 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide

2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 2800027) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID2800027
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-4-2-3-5-11(8)17-13(18)10-6-9(14)7-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyDJKOHSNRJCXNJF-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.95
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

5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347045
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
2-chloro-5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 114034241
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103892084
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
4,6-dimethyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 19224338
1-chloro-N-(2-methylphenyl)isoquinoline-3-carboxamide
CID 43342754

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide (CID 2800027) is 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1cc(Cl)cnc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is DJKOHSNRJCXNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-4-2-3-5-11(8)17-13(18)10-6-9(14)7-16-12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide?
2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 281.14 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2800027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).