(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone

C10H10FNO — CID 104737938

IUPAC(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C10H10FNO/c1-10(3-4-10)9(13)7-2-5-12-6-8(7)11/h2,5-6H,3-4H2,1H3
InChIKeyMBRDKPQOVZOIDL-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.20
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone

(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone (PubChem CID 104737938) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone
PubChem CID104737938
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C10H10FNO/c1-10(3-4-10)9(13)7-2-5-12-6-8(7)11/h2,5-6H,3-4H2,1H3
InChIKeyMBRDKPQOVZOIDL-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

methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760270
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455294
3-fluoro-N-[(2R)-spiro[2.2]pentan-2-yl]pyridine-4-carboxamide
CID 129348790
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide
CID 79711836
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 105416291
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200
cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone (CID 104737938) is (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone is CC1(C(=O)c2ccncc2F)CC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone?
The InChIKey is MBRDKPQOVZOIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-10(3-4-10)9(13)7-2-5-12-6-8(7)11/h2,5-6H,3-4H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone?
(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)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 (3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 104737938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).