4-chloro-6-methylpyridine-2-carbaldehyde

C7H6ClNO — CID 18505257

IUPAC4-chloro-6-methylpyridine-2-carbaldehyde
SMILESCc1cc(Cl)cc(C=O)n1
InChIInChI=1S/C7H6ClNO/c1-5-2-6(8)3-7(4-10)9-5/h2-4H,1H3
InChIKeyBVOFNVZEGBHZAU-UHFFFAOYSA-N
MW155.58 g/mol
LogP1.86
Rot. Bonds1

About 4-chloro-6-methylpyridine-2-carbaldehyde

4-chloro-6-methylpyridine-2-carbaldehyde (PubChem CID 18505257) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is 4-chloro-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-methylpyridine-2-carbaldehyde
PubChem CID18505257
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name4-chloro-6-methylpyridine-2-carbaldehyde
SMILESCc1cc(Cl)cc(C=O)n1
InChIInChI=1S/C7H6ClNO/c1-5-2-6(8)3-7(4-10)9-5/h2-4H,1H3
InChIKeyBVOFNVZEGBHZAU-UHFFFAOYSA-N
XLogP1.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 51.86
H-Bond Donors ≤ 50
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 4-chloro-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 4-chloro-6-methylpyridine-2-carbaldehyde (CID 18505257) is 4-chloro-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 4-chloro-6-methylpyridine-2-carbaldehyde is Cc1cc(Cl)cc(C=O)n1.
What is the InChIKey of 4-chloro-6-methylpyridine-2-carbaldehyde?
The InChIKey is BVOFNVZEGBHZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c1-5-2-6(8)3-7(4-10)9-5/h2-4H,1H3.
What are the key properties of 4-chloro-6-methylpyridine-2-carbaldehyde?
4-chloro-6-methylpyridine-2-carbaldehyde has a molecular weight of 155.58 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 18505257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).