3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide

C9H6ClF5N2O — CID 175833498

IUPAC3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1ncccc1Cl
InChIInChI=1S/C9H6ClF5N2O/c10-5-2-1-3-16-6(5)7(18)17-4-8(11,12)9(13,14)15/h1-3H,4H2,(H,17,18)
InChIKeyPCKMSAWXDATXLH-UHFFFAOYSA-N
MW288.60 g/mol
LogP2.66
Rot. Bonds3

About 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide

3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide (PubChem CID 175833498) has the molecular formula C9H6ClF5N2O and a molecular weight of 288.60 g/mol. Its IUPAC name is 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide
PubChem CID175833498
Molecular FormulaC9H6ClF5N2O
Molecular Weight288.60 g/mol
Exact Mass288.01
IUPAC Name3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1ncccc1Cl
InChIInChI=1S/C9H6ClF5N2O/c10-5-2-1-3-16-6(5)7(18)17-4-8(11,12)9(13,14)15/h1-3H,4H2,(H,17,18)
InChIKeyPCKMSAWXDATXLH-UHFFFAOYSA-N
XLogP2.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
3-chloropyridine-2-carbonyl chloride
CID 45081497
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
CID 104857933
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 118216736
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide (CID 175833498) is 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide is O=C(NCC(F)(F)C(F)(F)F)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide?
The InChIKey is PCKMSAWXDATXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O/c10-5-2-1-3-16-6(5)7(18)17-4-8(11,12)9(13,14)15/h1-3H,4H2,(H,17,18).
What are the key properties of 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide?
3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide has a molecular weight of 288.60 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide is sourced from PubChem (CID 175833498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).