1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone

C15H14ClFN2O — CID 159260235

IUPAC1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone
SMILESCC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F
InChIInChI=1S/C15H14ClFN2O/c1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h3-6,8-9H,7H2,1-2H3
InChIKeyMZVAFGKBQLOSJT-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.82
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone

1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone (PubChem CID 159260235) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone
PubChem CID159260235
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone
SMILESCC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F
InChIInChI=1S/C15H14ClFN2O/c1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h3-6,8-9H,7H2,1-2H3
InChIKeyMZVAFGKBQLOSJT-UHFFFAOYSA-N
XLogP3.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
CID 159260234
1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 130943487
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
CID 86346491
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
1-(5-chloro-2-pyridinyl)-2-[6-[(4R,6S)-4-(difluoromethyl)-2-phenacyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]ethanone
CID 158450468
1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
CID 11140584
2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
CID 161484729
1-(5-chloro-2-pyridinyl)butane-1,2-dione
CID 177314463
(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 124517125
methyl 5-chloropyridine-2-carboxylate
CID 11298216

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone (CID 159260235) is 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone is CC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone?
The InChIKey is MZVAFGKBQLOSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone?
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone has a molecular weight of 292.74 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 159260235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).