N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide

C9H8ClF3N2O — CID 115683234

IUPACN-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cccc(Cl)n1
InChIInChI=1S/C9H8ClF3N2O/c10-6-2-1-3-7(14-6)15-8(16)4-5-9(11,12)13/h1-3H,4-5H2,(H,14,15,16)
InChIKeyYWZJXSRWYPKEPL-UHFFFAOYSA-N
MW252.62 g/mol
LogP3.02
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide

N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide (PubChem CID 115683234) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
PubChem CID115683234
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC NameN-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cccc(Cl)n1
InChIInChI=1S/C9H8ClF3N2O/c10-6-2-1-3-7(14-6)15-8(16)4-5-9(11,12)13/h1-3H,4-5H2,(H,14,15,16)
InChIKeyYWZJXSRWYPKEPL-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
CID 103213848
5-amino-N-(6-chloro-2-pyridinyl)hexanamide
CID 82853086
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
N-(6-chloro-2-pyridinyl)-2-propoxyacetamide
CID 103739833
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
6-chloro-N-fluoropyridin-2-amine
CID 171556919
ethyl 2-[(6-chloro-2-pyridinyl)carbamothioylamino]acetate
CID 110181958
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 115683262
N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115700351

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide (CID 115683234) is N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide?
The InChIKey is YWZJXSRWYPKEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-6-2-1-3-7(14-6)15-8(16)4-5-9(11,12)13/h1-3H,4-5H2,(H,14,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide?
N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide has a molecular weight of 252.62 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 115683234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).