2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde

C9H6ClN3O — CID 130933965

IUPAC2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccncc2Cl)[nH]1
InChIInChI=1S/C9H6ClN3O/c10-8-4-11-2-1-7(8)9-12-3-6(5-14)13-9/h1-5H,(H,12,13)
InChIKeyNRBZVSHIKLVSRM-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.94
Rot. Bonds2

About 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde

2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde (PubChem CID 130933965) has the molecular formula C9H6ClN3O and a molecular weight of 207.62 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde
PubChem CID130933965
Molecular FormulaC9H6ClN3O
Molecular Weight207.62 g/mol
Exact Mass207.02
IUPAC Name2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccncc2Cl)[nH]1
InChIInChI=1S/C9H6ClN3O/c10-8-4-11-2-1-7(8)9-12-3-6(5-14)13-9/h1-5H,(H,12,13)
InChIKeyNRBZVSHIKLVSRM-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde (CID 130933965) is 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde is O=Cc1cnc(-c2ccncc2Cl)[nH]1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde?
The InChIKey is NRBZVSHIKLVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O/c10-8-4-11-2-1-7(8)9-12-3-6(5-14)13-9/h1-5H,(H,12,13).
What are the key properties of 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde?
2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde has a molecular weight of 207.62 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 130933965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).