N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide

C13H9Cl2FN2O — CID 115761018

IUPACN-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc(F)nc2)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c1-7-4-10(15)11(5-9(7)14)18-13(19)8-2-3-12(16)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyUJUHTTCXDYRODZ-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.09
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide

N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide (PubChem CID 115761018) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
PubChem CID115761018
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc(F)nc2)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c1-7-4-10(15)11(5-9(7)14)18-13(19)8-2-3-12(16)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyUJUHTTCXDYRODZ-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.09
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

N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973961
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 63978781
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
6-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 63978415
N-(2,5-dichloro-4-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 104728160
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N-(2-bromo-4-chlorophenyl)-6-fluoropyridine-3-carboxamide
CID 81028299

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide (CID 115761018) is N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide is Cc1cc(Cl)c(NC(=O)c2ccc(F)nc2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is UJUHTTCXDYRODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c1-7-4-10(15)11(5-9(7)14)18-13(19)8-2-3-12(16)17-6-8/h2-6H,1H3,(H,18,19).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 115761018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).