2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde

C10H6BrClN2O — CID 131163378

IUPAC2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde
SMILESO=Cc1c(Br)cccc1-n1cc(Cl)cn1
InChIInChI=1S/C10H6BrClN2O/c11-9-2-1-3-10(8(9)6-15)14-5-7(12)4-13-14/h1-6H
InChIKeyINTLZPLFASVCBO-UHFFFAOYSA-N
MW285.53 g/mol
LogP3.10
Rot. Bonds2

About 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde

2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde (PubChem CID 131163378) has the molecular formula C10H6BrClN2O and a molecular weight of 285.53 g/mol. Its IUPAC name is 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde
PubChem CID131163378
Molecular FormulaC10H6BrClN2O
Molecular Weight285.53 g/mol
Exact Mass283.94
IUPAC Name2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde
SMILESO=Cc1c(Br)cccc1-n1cc(Cl)cn1
InChIInChI=1S/C10H6BrClN2O/c11-9-2-1-3-10(8(9)6-15)14-5-7(12)4-13-14/h1-6H
InChIKeyINTLZPLFASVCBO-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-chloropyrazol-1-yl)benzenesulfonamide
CID 112675046
2-chloro-6-(4-chloropyrazol-1-yl)aniline
CID 84691684
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde
CID 58542008
[2-(4-chloropyrazol-1-yl)phenyl]methanol
CID 61035792
2-chloro-6-(4-propoxypyrazol-1-yl)benzaldehyde
CID 114274082
4-(4-chloropyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 165472017
5-bromo-4-(4-chloropyrazol-1-yl)pyridin-3-amine
CID 103518610
3-(4-chloropyrazol-1-yl)-2-nitrobenzoic acid
CID 115540936
1-[4-bromo-2-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 82966831
2-bromo-6-(3-hydroxy-3-methylazetidin-1-yl)benzaldehyde
CID 130934552
4-bromo-2-(4-chloropyrazol-1-yl)-5-fluoroaniline
CID 116736353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde?
The IUPAC name of 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde (CID 131163378) is 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde?
The canonical SMILES for 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde is O=Cc1c(Br)cccc1-n1cc(Cl)cn1.
What is the InChIKey of 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde?
The InChIKey is INTLZPLFASVCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O/c11-9-2-1-3-10(8(9)6-15)14-5-7(12)4-13-14/h1-6H.
What are the key properties of 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde?
2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde has a molecular weight of 285.53 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 131163378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).