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

C9H8ClF2NO — CID 118821330

IUPAC6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)nc1CCl
InChIInChI=1S/C9H8ClF2NO/c1-5-2-6(4-14)8(9(11)12)13-7(5)3-10/h2,4,9H,3H2,1H3
InChIKeyILQQWOGLMJXBDA-UHFFFAOYSA-N
MW219.62 g/mol
LogP2.88
Rot. Bonds3

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

6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (PubChem CID 118821330) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
PubChem CID118821330
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)nc1CCl
InChIInChI=1S/C9H8ClF2NO/c1-5-2-6(4-14)8(9(11)12)13-7(5)3-10/h2,4,9H,3H2,1H3
InChIKeyILQQWOGLMJXBDA-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

6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 118854250
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075601
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
6-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118838186
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
2-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118832698

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (CID 118821330) is 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)c(C(F)F)nc1CCl.
What is the InChIKey of 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is ILQQWOGLMJXBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c1-5-2-6(4-14)8(9(11)12)13-7(5)3-10/h2,4,9H,3H2,1H3.
What are the key properties of 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-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 6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118821330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).