5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

C8H6ClF2NO — CID 130098388

IUPAC5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(CCl)cn1
InChIInChI=1S/C8H6ClF2NO/c9-2-5-3-12-6(4-13)1-7(5)8(10)11/h1,3-4,8H,2H2
InChIKeyCFYRBBATSGFXGZ-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.57
Rot. Bonds3

About 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130098388) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130098388
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(CCl)cn1
InChIInChI=1S/C8H6ClF2NO/c9-2-5-3-12-6(4-13)1-7(5)8(10)11/h1,3-4,8H,2H2
InChIKeyCFYRBBATSGFXGZ-UHFFFAOYSA-N
XLogP2.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119019335
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
6-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118838186
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618
5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 130087544
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 130098388) is 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1cc(C(F)F)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is CFYRBBATSGFXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c9-2-5-3-12-6(4-13)1-7(5)8(10)11/h1,3-4,8H,2H2.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 205.59 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130098388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).