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

C13H7ClF2N2O3 — CID 18204016

IUPAC4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc(Cl)ccn1
InChIInChI=1S/C13H7ClF2N2O3/c14-7-3-4-17-9(5-7)12(19)18-8-1-2-10-11(6-8)21-13(15,16)20-10/h1-6H,(H,18,19)
InChIKeyRMIDWTDMHOWRLS-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.31
Rot. Bonds2

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

4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide (PubChem CID 18204016) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
PubChem CID18204016
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc(Cl)ccn1
InChIInChI=1S/C13H7ClF2N2O3/c14-7-3-4-17-9(5-7)12(19)18-8-1-2-10-11(6-8)21-13(15,16)20-10/h1-6H,(H,18,19)
InChIKeyRMIDWTDMHOWRLS-UHFFFAOYSA-N
XLogP3.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 103752062
1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 132846933
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
CID 47177474
4-chloro-N-quinoxalin-6-ylpyridine-2-carboxamide
CID 47254903
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
4-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10048974
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide
CID 11561411
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 571626
N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 60748722
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
5-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24653873

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide (CID 18204016) is 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The InChIKey is RMIDWTDMHOWRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-7-3-4-17-9(5-7)12(19)18-8-1-2-10-11(6-8)21-13(15,16)20-10/h1-6H,(H,18,19).
What are the key properties of 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide has a molecular weight of 312.66 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 18204016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).