6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide

C13H10ClFN2O — CID 86090120

IUPAC6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
SMILESCc1cc(Cl)nc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C13H10ClFN2O/c1-8-6-11(17-12(14)7-8)13(18)16-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,18)
InChIKeyRUVVWWGFNVZNBP-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.43
Rot. Bonds2

About 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide

6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide (PubChem CID 86090120) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
PubChem CID86090120
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
SMILESCc1cc(Cl)nc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C13H10ClFN2O/c1-8-6-11(17-12(14)7-8)13(18)16-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,18)
InChIKeyRUVVWWGFNVZNBP-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide (CID 86090120) is 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide is Cc1cc(Cl)nc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide?
The InChIKey is RUVVWWGFNVZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-6-11(17-12(14)7-8)13(18)16-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,18).
What are the key properties of 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide?
6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide has a molecular weight of 264.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 86090120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).