(4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone

C13H11BrN2O2 — CID 178113813

IUPAC(4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone
SMILESCCOc1cnnc(C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C13H11BrN2O2/c1-2-18-11-7-12(16-15-8-11)13(17)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyHNVOLHLSJPGPFN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.87
Rot. Bonds4

About (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone

(4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone (PubChem CID 178113813) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone
PubChem CID178113813
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name(4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone
SMILESCCOc1cnnc(C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C13H11BrN2O2/c1-2-18-11-7-12(16-15-8-11)13(17)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyHNVOLHLSJPGPFN-UHFFFAOYSA-N
XLogP2.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986
3-bromo-5-ethoxypyridazine
CID 118504110
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
(4-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105093922
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
1-(4-bromophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825553
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone (CID 178113813) is (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone is CCOc1cnnc(C(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone?
The InChIKey is HNVOLHLSJPGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-2-18-11-7-12(16-15-8-11)13(17)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone?
(4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone has a molecular weight of 307.15 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-ethoxypyridazin-3-yl)methanone is sourced from PubChem (CID 178113813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).