6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde

C8H6ClF2NO2 — CID 130073904

IUPAC6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-14-5-2-4(3-13)12-7(9)6(5)8(10)11/h2-3,8H,1H3
InChIKeyIHMGVIGZBVGPQL-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.49
Rot. Bonds3

About 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde

6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde (PubChem CID 130073904) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
PubChem CID130073904
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-14-5-2-4(3-13)12-7(9)6(5)8(10)11/h2-3,8H,1H3
InChIKeyIHMGVIGZBVGPQL-UHFFFAOYSA-N
XLogP2.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.49
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

6-chloro-5-(difluoromethyl)-4-methoxypyridin-2-amine
CID 130102534
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
6-chloro-3-(difluoromethyl)-4-methoxypyridine-2-sulfonamide
CID 130074043
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
2,6-dichloro-4-methoxy-3-propan-2-ylpyridine
CID 146431908
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
CID 119010249
2-chloro-3-(difluoromethyl)-6-iodopyridine-4-carbaldehyde
CID 119023319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde (CID 130073904) is 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde is COc1cc(C=O)nc(Cl)c1C(F)F.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde?
The InChIKey is IHMGVIGZBVGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-14-5-2-4(3-13)12-7(9)6(5)8(10)11/h2-3,8H,1H3.
What are the key properties of 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde?
6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde has a molecular weight of 221.59 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 130073904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).