2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide

C14H13Br2NO2 — CID 87970212

IUPAC2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
SMILESBr.COc1ccc(C(Br)(C=O)c2cccnc2)cc1
InChIInChI=1S/C14H12BrNO2.BrH/c1-18-13-6-4-11(5-7-13)14(15,10-17)12-3-2-8-16-9-12;/h2-10H,1H3;1H
InChIKeyNSVHTTNWQJQUFE-UHFFFAOYSA-N
MW387.07 g/mol
LogP3.51
Rot. Bonds4

About 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide

2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide (PubChem CID 87970212) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide.

Molecular Properties

Compound Name2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
PubChem CID87970212
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
SMILESBr.COc1ccc(C(Br)(C=O)c2cccnc2)cc1
InChIInChI=1S/C14H12BrNO2.BrH/c1-18-13-6-4-11(5-7-13)14(15,10-17)12-3-2-8-16-9-12;/h2-10H,1H3;1H
InChIKeyNSVHTTNWQJQUFE-UHFFFAOYSA-N
XLogP3.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-(4-methoxyphenyl)-2-pyridin-4-ylacetaldehyde
CID 88698167
2-bromo-2-pyridin-3-ylpropanal
CID 174678560
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine
CID 22978383
2-chloro-2-(4-methoxyphenyl)propanal
CID 174937779
(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
(4-methoxyphenyl)-pyridin-3-yliodanium
CID 24871781
1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one
CID 67854791
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
The IUPAC name of 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide (CID 87970212) is 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide.
What is the SMILES notation for 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
The canonical SMILES for 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide is Br.COc1ccc(C(Br)(C=O)c2cccnc2)cc1.
What is the InChIKey of 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
The InChIKey is NSVHTTNWQJQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2.BrH/c1-18-13-6-4-11(5-7-13)14(15,10-17)12-3-2-8-16-9-12;/h2-10H,1H3;1H.
What are the key properties of 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide has a molecular weight of 387.07 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide is sourced from PubChem (CID 87970212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).