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

C13H10Cl2N2O — CID 26914379

IUPAC3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-4-2-3-5-10(8)16-13(18)12-9(14)6-7-11(15)17-12/h2-7H,1H3,(H,16,18)
InChIKeyKBCGFHNSOGJDCM-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.95
Rot. Bonds2

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

3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide (PubChem CID 26914379) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
PubChem CID26914379
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-4-2-3-5-10(8)16-13(18)12-9(14)6-7-11(15)17-12/h2-7H,1H3,(H,16,18)
InChIKeyKBCGFHNSOGJDCM-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

3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 79042463
3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
CID 26727633
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
CID 61052606
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47097948
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide (CID 26914379) is 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is KBCGFHNSOGJDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-4-2-3-5-10(8)16-13(18)12-9(14)6-7-11(15)17-12/h2-7H,1H3,(H,16,18).
What are the key properties of 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-methylphenyl)pyridine-2-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 3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26914379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).