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

C13H9ClF2N2O — CID 63372919

IUPAC4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(Cl)ccn1
InChIInChI=1S/C13H9ClF2N2O/c14-9-3-4-17-12(6-9)13(19)18-7-8-5-10(15)1-2-11(8)16/h1-6H,7H2,(H,18,19)
InChIKeyPYUIWFSSOISTCZ-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.94
Rot. Bonds3

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

4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 63372919) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID63372919
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(Cl)ccn1
InChIInChI=1S/C13H9ClF2N2O/c14-9-3-4-17-12(6-9)13(19)18-7-8-5-10(15)1-2-11(8)16/h1-6H,7H2,(H,18,19)
InChIKeyPYUIWFSSOISTCZ-UHFFFAOYSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-2-carboxamide
CID 62297092
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide (CID 63372919) is 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1cc(F)ccc1F)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is PYUIWFSSOISTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-9-3-4-17-12(6-9)13(19)18-7-8-5-10(15)1-2-11(8)16/h1-6H,7H2,(H,18,19).
What are the key properties of 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 282.68 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63372919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).