5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide

C13H8F2N2O3 — CID 122561514

IUPAC5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cccc3c2OC(F)(F)O3)c1
InChIInChI=1S/C13H8F2N2O3/c14-13(15)19-10-3-1-2-9(11(10)20-13)7-4-8(12(16)18)6-17-5-7/h1-6H,(H2,16,18)
InChIKeyYAMPHENSLBXPHL-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.17
Rot. Bonds2

About 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide

5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide (PubChem CID 122561514) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide
PubChem CID122561514
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cccc3c2OC(F)(F)O3)c1
InChIInChI=1S/C13H8F2N2O3/c14-13(15)19-10-3-1-2-9(11(10)20-13)7-4-8(12(16)18)6-17-5-7/h1-6H,(H2,16,18)
InChIKeyYAMPHENSLBXPHL-UHFFFAOYSA-N
XLogP2.17
TPSA74.44 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 71303513
5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine
CID 129244085
5-[3-(2-methylphenyl)phenyl]pyridine-3-carboxamide
CID 142945914
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117352451
5-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125167822
5-thiophen-3-ylpyridine-3-carboxamide
CID 71303610
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 138496706
5-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30877174
5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 126467458
5-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 71303489

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide (CID 122561514) is 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide is NC(=O)c1cncc(-c2cccc3c2OC(F)(F)O3)c1.
What is the InChIKey of 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide?
The InChIKey is YAMPHENSLBXPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-13(15)19-10-3-1-2-9(11(10)20-13)7-4-8(12(16)18)6-17-5-7/h1-6H,(H2,16,18).
What are the key properties of 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide?
5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide has a molecular weight of 278.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122561514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).