1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone

C16H14BrNO — CID 118602864

IUPAC1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone
SMILESCC(=O)C1(c2ccc(-c3ccc(Br)cn3)cc2)CC1
InChIInChI=1S/C16H14BrNO/c1-11(19)16(8-9-16)13-4-2-12(3-5-13)15-7-6-14(17)10-18-15/h2-7,10H,8-9H2,1H3
InChIKeyNFWNFWBSJVXZOL-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.13
Rot. Bonds3

About 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone

1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone (PubChem CID 118602864) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone
PubChem CID118602864
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone
SMILESCC(=O)C1(c2ccc(-c3ccc(Br)cn3)cc2)CC1
InChIInChI=1S/C16H14BrNO/c1-11(19)16(8-9-16)13-4-2-12(3-5-13)15-7-6-14(17)10-18-15/h2-7,10H,8-9H2,1H3
InChIKeyNFWNFWBSJVXZOL-UHFFFAOYSA-N
XLogP4.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
1-(4-bromophenyl)cyclopropane-1-carbonyl chloride
CID 86811283
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
2,4-bis[1-(4-bromophenyl)cyclopropyl]-1,5-dichloropenta-1,4-dien-3-one
CID 174587521
1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
CID 82285208
1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115609339
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
ethyl 1-[4-[5-(3-amino-5-chlorothiophen-2-yl)-2-pyridinyl]phenyl]cyclopropane-1-carboxylate
CID 90264775
2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
CID 24730356

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone (CID 118602864) is 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone is CC(=O)C1(c2ccc(-c3ccc(Br)cn3)cc2)CC1.
What is the InChIKey of 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone?
The InChIKey is NFWNFWBSJVXZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-11(19)16(8-9-16)13-4-2-12(3-5-13)15-7-6-14(17)10-18-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone?
1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone has a molecular weight of 316.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone is sourced from PubChem (CID 118602864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).