2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde

C10H6ClFN2O — CID 163283497

IUPAC2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cn[nH]c2F)c1Cl
InChIInChI=1S/C10H6ClFN2O/c11-9-6(5-15)2-1-3-7(9)8-4-13-14-10(8)12/h1-5H,(H,13,14)
InChIKeyZPMXHKOHEQEGDP-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde

2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde (PubChem CID 163283497) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde
PubChem CID163283497
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cn[nH]c2F)c1Cl
InChIInChI=1S/C10H6ClFN2O/c11-9-6(5-15)2-1-3-7(9)8-4-13-14-10(8)12/h1-5H,(H,13,14)
InChIKeyZPMXHKOHEQEGDP-UHFFFAOYSA-N
XLogP2.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1H-pyrazole-4-carbaldehyde
CID 54063404
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde
CID 134620169
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
6-(2,3-dichlorophenyl)-2-fluoropyridine-3-carbaldehyde
CID 133090737
2-chloro-3-methylsulfanylbenzaldehyde
CID 131318711
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
2-chloro-3-fluoroterephthalaldehyde
CID 87294341
2,3-dichlorobenzaldehyde;methanol
CID 162040206
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
CID 144604013
2-(2H-triazol-4-yl)benzaldehyde
CID 23332019

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde?
The IUPAC name of 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde (CID 163283497) is 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde is O=Cc1cccc(-c2cn[nH]c2F)c1Cl.
What is the InChIKey of 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde?
The InChIKey is ZPMXHKOHEQEGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-9-6(5-15)2-1-3-7(9)8-4-13-14-10(8)12/h1-5H,(H,13,14).
What are the key properties of 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde?
2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde has a molecular weight of 224.62 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 163283497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).