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

C9H10F2N2O — CID 118825784

IUPAC2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
SMILESCc1nc(CN)c(C=O)cc1C(F)F
InChIInChI=1S/C9H10F2N2O/c1-5-7(9(10)11)2-6(4-14)8(3-12)13-5/h2,4,9H,3,12H2,1H3
InChIKeyDFDYRRBKMCIBGS-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.60
Rot. Bonds3

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

2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde (PubChem CID 118825784) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
PubChem CID118825784
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
SMILESCc1nc(CN)c(C=O)cc1C(F)F
InChIInChI=1S/C9H10F2N2O/c1-5-7(9(10)11)2-6(4-14)8(3-12)13-5/h2,4,9H,3,12H2,1H3
InChIKeyDFDYRRBKMCIBGS-UHFFFAOYSA-N
XLogP1.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118844032
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118820202
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430
[6-(aminomethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 118847964
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 130098054
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 133098479

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde (CID 118825784) is 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde is Cc1nc(CN)c(C=O)cc1C(F)F.
What is the InChIKey of 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
The InChIKey is DFDYRRBKMCIBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5-7(9(10)11)2-6(4-14)8(3-12)13-5/h2,4,9H,3,12H2,1H3.
What are the key properties of 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde has a molecular weight of 200.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118825784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).