4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide

C11H13ClF2N2O — CID 166088571

IUPAC4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)NCC(F)F)cc1Cl
InChIInChI=1S/C11H13ClF2N2O/c1-6(2)7-4-15-9(3-8(7)12)11(17)16-5-10(13)14/h3-4,6,10H,5H2,1-2H3,(H,16,17)
InChIKeyCNPXMYHUDUYJMP-UHFFFAOYSA-N
MW262.69 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide

4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide (PubChem CID 166088571) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide
PubChem CID166088571
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1cnc(C(=O)NCC(F)F)cc1Cl
InChIInChI=1S/C11H13ClF2N2O/c1-6(2)7-4-15-9(3-8(7)12)11(17)16-5-10(13)14/h3-4,6,10H,5H2,1-2H3,(H,16,17)
InChIKeyCNPXMYHUDUYJMP-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide (CID 166088571) is 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide is CC(C)c1cnc(C(=O)NCC(F)F)cc1Cl.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide?
The InChIKey is CNPXMYHUDUYJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O/c1-6(2)7-4-15-9(3-8(7)12)11(17)16-5-10(13)14/h3-4,6,10H,5H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide?
4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide has a molecular weight of 262.69 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoroethyl)-5-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 166088571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).