4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide

C10H11ClF2N2O — CID 166087660

IUPAC4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide
SMILESCCc1cnc(C(=O)NCC(F)F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-2-6-4-14-8(3-7(6)11)10(16)15-5-9(12)13/h3-4,9H,2,5H2,1H3,(H,15,16)
InChIKeyBGDVHYCTPCFQON-UHFFFAOYSA-N
MW248.66 g/mol
LogP2.29
Rot. Bonds4

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

4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide (PubChem CID 166087660) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide
PubChem CID166087660
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC Name4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide
SMILESCCc1cnc(C(=O)NCC(F)F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-2-6-4-14-8(3-7(6)11)10(16)15-5-9(12)13/h3-4,9H,2,5H2,1H3,(H,15,16)
InChIKeyBGDVHYCTPCFQON-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 52.29
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-ethylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide (CID 166087660) is 4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide is CCc1cnc(C(=O)NCC(F)F)cc1Cl.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide?
The InChIKey is BGDVHYCTPCFQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c1-2-6-4-14-8(3-7(6)11)10(16)15-5-9(12)13/h3-4,9H,2,5H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide?
4-chloro-N-(2,2-difluoroethyl)-5-ethylpyridine-2-carboxamide has a molecular weight of 248.66 g/mol, XLogP of 2.29, 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-ethylpyridine-2-carboxamide is sourced from PubChem (CID 166087660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).