6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

C8H5Cl2F2NO — CID 130075599

IUPAC6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(C(F)F)c1CCl
InChIInChI=1S/C8H5Cl2F2NO/c9-2-5-4(8(11)12)1-7(10)13-6(5)3-14/h1,3,8H,2H2
InChIKeyNMFMOFZRTIPQRM-UHFFFAOYSA-N
MW240.04 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130075599) has the molecular formula C8H5Cl2F2NO and a molecular weight of 240.04 g/mol. Its IUPAC name is 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130075599
Molecular FormulaC8H5Cl2F2NO
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(C(F)F)c1CCl
InChIInChI=1S/C8H5Cl2F2NO/c9-2-5-4(8(11)12)1-7(10)13-6(5)3-14/h1,3,8H,2H2
InChIKeyNMFMOFZRTIPQRM-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-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107570
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methylpyridine
CID 119013902
6-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118838186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 130075599) is 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(Cl)cc(C(F)F)c1CCl.
What is the InChIKey of 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is NMFMOFZRTIPQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO/c9-2-5-4(8(11)12)1-7(10)13-6(5)3-14/h1,3,8H,2H2.
What are the key properties of 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-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 6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130075599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).