cyclobutyl-(3-fluoro-4-pyridinyl)methanone

C10H10FNO — CID 119030457

IUPACcyclobutyl-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)C1CCC1
InChIInChI=1S/C10H10FNO/c11-9-6-12-5-4-8(9)10(13)7-2-1-3-7/h4-7H,1-3H2
InChIKeyMTULNIKVIVZXOE-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.20
Rot. Bonds2

About cyclobutyl-(3-fluoro-4-pyridinyl)methanone

cyclobutyl-(3-fluoro-4-pyridinyl)methanone (PubChem CID 119030457) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is cyclobutyl-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-fluoro-4-pyridinyl)methanone
PubChem CID119030457
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Namecyclobutyl-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)C1CCC1
InChIInChI=1S/C10H10FNO/c11-9-6-12-5-4-8(9)10(13)7-2-1-3-7/h4-7H,1-3H2
InChIKeyMTULNIKVIVZXOE-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone
CID 116557323
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129285
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
(3-methoxycyclohexyl) 3-fluoropyridine-4-carboxylate
CID 115645314

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of cyclobutyl-(3-fluoro-4-pyridinyl)methanone (CID 119030457) is cyclobutyl-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for cyclobutyl-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for cyclobutyl-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)C1CCC1.
What is the InChIKey of cyclobutyl-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is MTULNIKVIVZXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-6-12-5-4-8(9)10(13)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of cyclobutyl-(3-fluoro-4-pyridinyl)methanone?
cyclobutyl-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 179.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 119030457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).