2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride

C15H11ClFNO — CID 87545136

IUPAC2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C15H11ClFNO/c16-15(19)13-7-12(13)10-3-6-14(18-8-10)9-1-4-11(17)5-2-9/h1-6,8,12-13H,7H2
InChIKeyYXXHPQRJBHLMDB-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.76
Rot. Bonds3

About 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride

2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride (PubChem CID 87545136) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
PubChem CID87545136
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C15H11ClFNO/c16-15(19)13-7-12(13)10-3-6-14(18-8-10)9-1-4-11(17)5-2-9/h1-6,8,12-13H,7H2
InChIKeyYXXHPQRJBHLMDB-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710465
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710463
azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
CID 159512184
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 68709871
2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
CID 24988276
trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
CID 129244238
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine
CID 56652650
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide
CID 70907317
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride?
The IUPAC name of 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride (CID 87545136) is 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride is O=C(Cl)C1CC1c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride?
The InChIKey is YXXHPQRJBHLMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-15(19)13-7-12(13)10-3-6-14(18-8-10)9-1-4-11(17)5-2-9/h1-6,8,12-13H,7H2.
What are the key properties of 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride?
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride has a molecular weight of 275.71 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 87545136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).