2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C14H8ClF5N2O — CID 86669516

IUPAC2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C14H8ClF5N2O/c15-12-9(4-8(6-21-12)14(18,19)20)13(23)22-5-7-1-2-10(16)11(17)3-7/h1-4,6H,5H2,(H,22,23)
InChIKeyXIKPYVWVVNEYII-UHFFFAOYSA-N
MW350.67 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide

2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86669516) has the molecular formula C14H8ClF5N2O and a molecular weight of 350.67 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86669516
Molecular FormulaC14H8ClF5N2O
Molecular Weight350.67 g/mol
Exact Mass350.02
IUPAC Name2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C14H8ClF5N2O/c15-12-9(4-8(6-21-12)14(18,19)20)13(23)22-5-7-1-2-10(16)11(17)3-7/h1-4,6H,5H2,(H,22,23)
InChIKeyXIKPYVWVVNEYII-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.67
LogP ≤ 53.96
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

4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-methoxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 123711272
2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 87262839
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
2-[[4-(4-amino-1-methylindol-3-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 122695247
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 86669516) is 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XIKPYVWVVNEYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O/c15-12-9(4-8(6-21-12)14(18,19)20)13(23)22-5-7-1-2-10(16)11(17)3-7/h1-4,6H,5H2,(H,22,23).
What are the key properties of 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 350.67 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86669516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).