3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide

C9H10ClFN2O — CID 116813108

IUPAC3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H10ClFN2O/c1-6(5-10)9(14)13-8-4-2-3-7(11)12-8/h2-4,6H,5H2,1H3,(H,12,13,14)
InChIKeyMYIWVVGISLCIHF-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.03
Rot. Bonds3

About 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide

3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide (PubChem CID 116813108) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
PubChem CID116813108
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H10ClFN2O/c1-6(5-10)9(14)13-8-4-2-3-7(11)12-8/h2-4,6H,5H2,1H3,(H,12,13,14)
InChIKeyMYIWVVGISLCIHF-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813269
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320
N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
CID 148676240
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
CID 104820692
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104893696
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 116813202
N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
CID 113456887

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide (CID 116813108) is 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide is CC(CCl)C(=O)Nc1cccc(F)n1.
What is the InChIKey of 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide?
The InChIKey is MYIWVVGISLCIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-6(5-10)9(14)13-8-4-2-3-7(11)12-8/h2-4,6H,5H2,1H3,(H,12,13,14).
What are the key properties of 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide?
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide has a molecular weight of 216.64 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 116813108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).