2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde

C8H5Cl2F2NO — CID 130075601

IUPAC2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(CCl)c(C(F)F)nc1Cl
InChIInChI=1S/C8H5Cl2F2NO/c9-2-4-1-5(3-14)7(10)13-6(4)8(11)12/h1,3,8H,2H2
InChIKeyRHDZIYZGCXSAON-UHFFFAOYSA-N
MW240.04 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde

2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 130075601) has the molecular formula C8H5Cl2F2NO and a molecular weight of 240.04 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID130075601
Molecular FormulaC8H5Cl2F2NO
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(CCl)c(C(F)F)nc1Cl
InChIInChI=1S/C8H5Cl2F2NO/c9-2-4-1-5(3-14)7(10)13-6(4)8(11)12/h1,3,8H,2H2
InChIKeyRHDZIYZGCXSAON-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 119019383
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
2-chloro-6-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 118999833
6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075297
2-bromo-3-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine
CID 118995980
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
ethyl 2-[2-chloro-5-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde (CID 130075601) is 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde is O=Cc1cc(CCl)c(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is RHDZIYZGCXSAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO/c9-2-4-1-5(3-14)7(10)13-6(4)8(11)12/h1,3,8H,2H2.
What are the key properties of 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde?
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 240.04 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130075601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).