N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide

C13H7ClFN3O — CID 103799816

IUPACN-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(F)c2)c(Cl)c1
InChIInChI=1S/C13H7ClFN3O/c14-10-5-8(7-16)1-2-11(10)18-13(19)9-3-4-17-12(15)6-9/h1-6H,(H,18,19)
InChIKeyVHPOZFMSUYQKLD-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.00
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide

N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide (PubChem CID 103799816) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
PubChem CID103799816
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(F)c2)c(Cl)c1
InChIInChI=1S/C13H7ClFN3O/c14-10-5-8(7-16)1-2-11(10)18-13(19)9-3-4-17-12(15)6-9/h1-6H,(H,18,19)
InChIKeyVHPOZFMSUYQKLD-UHFFFAOYSA-N
XLogP3.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
CID 61294193
N-(2-chloro-4-cyanophenyl)-5-hydroxypyridine-3-carboxamide
CID 107808799
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103799723

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide (CID 103799816) is N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(F)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is VHPOZFMSUYQKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-10-5-8(7-16)1-2-11(10)18-13(19)9-3-4-17-12(15)6-9/h1-6H,(H,18,19).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide?
N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 275.67 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 103799816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).