(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone

C13H10BrNO2 — CID 139998060

IUPAC(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccnc2Br)c1
InChIInChI=1S/C13H10BrNO2/c1-17-10-5-2-4-9(8-10)12(16)11-6-3-7-15-13(11)14/h2-8H,1H3
InChIKeyUPLNTDGKUYPHFK-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.08
Rot. Bonds3

About (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone

(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone (PubChem CID 139998060) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
PubChem CID139998060
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccnc2Br)c1
InChIInChI=1S/C13H10BrNO2/c1-17-10-5-2-4-9(8-10)12(16)11-6-3-7-15-13(11)14/h2-8H,1H3
InChIKeyUPLNTDGKUYPHFK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-pyridinyl)-[3-[(4-methylphenyl)methoxy]phenyl]methanone
CID 139998037
[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
CID 139998031
(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
CID 43344972
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone
CID 119085248
methyl 3-(3-bromobenzoyl)pyridine-2-carboxylate
CID 19700837
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone (CID 139998060) is (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cccnc2Br)c1.
What is the InChIKey of (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone?
The InChIKey is UPLNTDGKUYPHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-17-10-5-2-4-9(8-10)12(16)11-6-3-7-15-13(11)14/h2-8H,1H3.
What are the key properties of (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone?
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)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 (2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 139998060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).