(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone

C13H16FNO — CID 79723805

IUPAC(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C13H16FNO/c1-9-3-2-4-10(7-9)13(16)12-6-5-11(14)8-15-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyPAZNGXXXCIYTNF-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.23
Rot. Bonds2

About (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone

(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone (PubChem CID 79723805) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
PubChem CID79723805
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C13H16FNO/c1-9-3-2-4-10(7-9)13(16)12-6-5-11(14)8-15-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyPAZNGXXXCIYTNF-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(5-fluoro-2-pyridinyl)methanone
CID 82931790
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-(5-fluoro-2-pyridinyl)methanone
CID 171950495
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone
CID 116685419
cis-(1R,3S)-3-[(5-fluoropyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320712
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723801
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
(2-bromo-3,4-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 107538200
(3-bromo-2,6-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 106941683
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone (CID 79723805) is (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)c2ccc(F)cn2)C1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone?
The InChIKey is PAZNGXXXCIYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-3-2-4-10(7-9)13(16)12-6-5-11(14)8-15-12/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone?
(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone has a molecular weight of 221.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 79723805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).