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

C10H7ClN2O — CID 153387709

IUPAC2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde
SMILESO=Cc1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H7ClN2O/c11-10-2-1-7(3-8(10)6-14)9-4-12-13-5-9/h1-6H,(H,12,13)
InChIKeyCIWBPRUVWRVEJR-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.54
Rot. Bonds2

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

2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde (PubChem CID 153387709) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde
PubChem CID153387709
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde
SMILESO=Cc1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H7ClN2O/c11-10-2-1-7(3-8(10)6-14)9-4-12-13-5-9/h1-6H,(H,12,13)
InChIKeyCIWBPRUVWRVEJR-UHFFFAOYSA-N
XLogP2.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde?
The IUPAC name of 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde (CID 153387709) is 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde is O=Cc1cc(-c2cn[nH]c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde?
The InChIKey is CIWBPRUVWRVEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10-2-1-7(3-8(10)6-14)9-4-12-13-5-9/h1-6H,(H,12,13).
What are the key properties of 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde?
2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde has a molecular weight of 206.63 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 153387709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).