6-chloro-2-methoxypyridine-3-carbaldehyde

C7H6ClNO2 — CID 10855945

IUPAC6-chloro-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(Cl)ccc1C=O
InChIInChI=1S/C7H6ClNO2/c1-11-7-5(4-10)2-3-6(8)9-7/h2-4H,1H3
InChIKeyAVBARORPQMEWPR-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.56
Rot. Bonds2

About 6-chloro-2-methoxypyridine-3-carbaldehyde

6-chloro-2-methoxypyridine-3-carbaldehyde (PubChem CID 10855945) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 6-chloro-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-methoxypyridine-3-carbaldehyde
PubChem CID10855945
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name6-chloro-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(Cl)ccc1C=O
InChIInChI=1S/C7H6ClNO2/c1-11-7-5(4-10)2-3-6(8)9-7/h2-4H,1H3
InChIKeyAVBARORPQMEWPR-UHFFFAOYSA-N
XLogP1.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-methoxypyridine-3-carbaldehyde
CID 13382638
2-Chloro-6-methoxypyridine-3-carboxylic acid
CID 11769266
2-Methoxypyridine-3-carbaldehyde
CID 12533391
Methyl 2,6-dichloropyridine-3-carboxylate
CID 11106516
6-Chloro-2-(trifluoromethoxy)nicotinic acid
CID 49871099
4-Chloro-2-methoxypyridine-3-carbaldehyde
CID 53407928
6-Chloro-2-methoxy-4-methylpyridine-3-carboxylic acid
CID 707652
2,6-Dimethoxypyridine-3-carboxaldehyde
CID 12269211
2-Chloro-6-methoxypyridine-4-carbaldehyde
CID 2762976
2-Chloro-6-methoxyisonicotinoyl chloride
CID 2782125
Methyl 6-chloro-2-methoxynicotinate
CID 10560015
5-Chloro-2-methoxynicotinaldehyde
CID 13567757

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-2-methoxypyridine-3-carbaldehyde (CID 10855945) is 6-chloro-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-methoxypyridine-3-carbaldehyde is COc1nc(Cl)ccc1C=O.
What is the InChIKey of 6-chloro-2-methoxypyridine-3-carbaldehyde?
The InChIKey is AVBARORPQMEWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-11-7-5(4-10)2-3-6(8)9-7/h2-4H,1H3.
What are the key properties of 6-chloro-2-methoxypyridine-3-carbaldehyde?
6-chloro-2-methoxypyridine-3-carbaldehyde has a molecular weight of 171.58 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 10855945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).