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

C9H10F2N2O — CID 118846700

IUPAC4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
SMILESCc1c(CN)cc(C=O)nc1C(F)F
InChIInChI=1S/C9H10F2N2O/c1-5-6(3-12)2-7(4-14)13-8(5)9(10)11/h2,4,9H,3,12H2,1H3
InChIKeyFXHNAZJAHQXVJD-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.60
Rot. Bonds3

About 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde

4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde (PubChem CID 118846700) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
PubChem CID118846700
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
SMILESCc1c(CN)cc(C=O)nc1C(F)F
InChIInChI=1S/C9H10F2N2O/c1-5-6(3-12)2-7(4-14)13-8(5)9(10)11/h2,4,9H,3,12H2,1H3
InChIKeyFXHNAZJAHQXVJD-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

4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
CID 118812768
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde (CID 118846700) is 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde is Cc1c(CN)cc(C=O)nc1C(F)F.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
The InChIKey is FXHNAZJAHQXVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5-6(3-12)2-7(4-14)13-8(5)9(10)11/h2,4,9H,3,12H2,1H3.
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde?
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-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 4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 118846700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).