(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone

C12H10BrNO2 — CID 63750525

IUPAC(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc[nH]c2)cc1Br
InChIInChI=1S/C12H10BrNO2/c1-16-11-3-2-8(6-10(11)13)12(15)9-4-5-14-7-9/h2-7,14H,1H3
InChIKeyNEZBXBYPNGSVFT-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.02
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone

(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone (PubChem CID 63750525) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
PubChem CID63750525
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc[nH]c2)cc1Br
InChIInChI=1S/C12H10BrNO2/c1-16-11-3-2-8(6-10(11)13)12(15)9-4-5-14-7-9/h2-7,14H,1H3
InChIKeyNEZBXBYPNGSVFT-UHFFFAOYSA-N
XLogP3.02
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114181973
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone
CID 55231177
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 43339877
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
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2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 82123910
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664
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CID 43339859

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone (CID 63750525) is (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone is COc1ccc(C(=O)c2cc[nH]c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is NEZBXBYPNGSVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-16-11-3-2-8(6-10(11)13)12(15)9-4-5-14-7-9/h2-7,14H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone?
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 280.12 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 63750525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).