(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone

C13H10BrNO2 — CID 170712986

IUPAC(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C13H10BrNO2/c1-17-11-6-7-12(15-8-11)13(16)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKeyIUVCBRCONYJMAZ-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.08
Rot. Bonds3

About (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone

(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone (PubChem CID 170712986) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
PubChem CID170712986
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C13H10BrNO2/c1-17-11-6-7-12(15-8-11)13(16)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKeyIUVCBRCONYJMAZ-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(5-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 79723230
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone
CID 178113813
methyl 5-bromopyridine-2-carboxylate
CID 7016458
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(E)-3-(4-bromophenyl)-1-[4-(5-methoxypyridine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 171781232
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
CID 116605219
5-[2-(4-bromophenyl)ethoxy]pyridine-2-carboxylic acid;ethane
CID 143633946
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone?
The IUPAC name of (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone (CID 170712986) is (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone?
The canonical SMILES for (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone is COc1ccc(C(=O)c2ccc(Br)cc2)nc1.
What is the InChIKey of (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone?
The InChIKey is IUVCBRCONYJMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-17-11-6-7-12(15-8-11)13(16)9-2-4-10(14)5-3-9/h2-8H,1H3.
What are the key properties of (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone?
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone has a molecular weight of 292.13 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 170712986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).