3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde

C9H8ClF2NO — CID 130090489

IUPAC3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
SMILESCc1cc(CCl)c(C=O)nc1C(F)F
InChIInChI=1S/C9H8ClF2NO/c1-5-2-6(3-10)7(4-14)13-8(5)9(11)12/h2,4,9H,3H2,1H3
InChIKeyPBXZIJWTEJCBEU-UHFFFAOYSA-N
MW219.62 g/mol
LogP2.88
Rot. Bonds3

About 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde

3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde (PubChem CID 130090489) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
PubChem CID130090489
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
SMILESCc1cc(CCl)c(C=O)nc1C(F)F
InChIInChI=1S/C9H8ClF2NO/c1-5-2-6(3-10)7(4-14)13-8(5)9(11)12/h2,4,9H,3H2,1H3
InChIKeyPBXZIJWTEJCBEU-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.88
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

5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
2-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075601

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde (CID 130090489) is 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde is Cc1cc(CCl)c(C=O)nc1C(F)F.
What is the InChIKey of 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
The InChIKey is PBXZIJWTEJCBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c1-5-2-6(3-10)7(4-14)13-8(5)9(11)12/h2,4,9H,3H2,1H3.
What are the key properties of 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde has a molecular weight of 219.62 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 130090489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).