N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide

C13H8F2N2O3 — CID 571626

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccnc1
InChIInChI=1S/C13H8F2N2O3/c14-13(15)19-10-4-3-9(6-11(10)20-13)17-12(18)8-2-1-5-16-7-8/h1-7H,(H,17,18)
InChIKeyPHLCOAFKSPJKII-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.66
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide (PubChem CID 571626) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
PubChem CID571626
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccnc1
InChIInChI=1S/C13H8F2N2O3/c14-13(15)19-10-4-3-9(6-11(10)20-13)17-12(18)8-2-1-5-16-7-8/h1-7H,(H,17,18)
InChIKeyPHLCOAFKSPJKII-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide
CID 24532820
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 103752062
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)pyridine-3-carboxamide
CID 108765324
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
CID 47177474
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 18204016
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide (CID 571626) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccnc1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
The InChIKey is PHLCOAFKSPJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-13(15)19-10-4-3-9(6-11(10)20-13)17-12(18)8-2-1-5-16-7-8/h1-7H,(H,17,18).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide has a molecular weight of 278.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 571626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).