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

C9H10F2N2O — CID 130088514

IUPAC4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(C(F)F)c(C=O)c1CN
InChIInChI=1S/C9H10F2N2O/c1-5-3-13-8(9(10)11)7(4-14)6(5)2-12/h3-4,9H,2,12H2,1H3
InChIKeyPIVNBDOOYKKJDD-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.60
Rot. Bonds3

About 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde

4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (PubChem CID 130088514) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
PubChem CID130088514
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(C(F)F)c(C=O)c1CN
InChIInChI=1S/C9H10F2N2O/c1-5-3-13-8(9(10)11)7(4-14)6(5)2-12/h3-4,9H,2,12H2,1H3
InChIKeyPIVNBDOOYKKJDD-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)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
[3-chloro-2-(difluoromethyl)-5-methyl-4-pyridinyl]methanamine
CID 118829811
3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
CID 130069374
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
CID 130078361
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine
CID 130080922
5-(aminomethyl)-6-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106307
4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 130087544

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (CID 130088514) is 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is Cc1cnc(C(F)F)c(C=O)c1CN.
What is the InChIKey of 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is PIVNBDOOYKKJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5-3-13-8(9(10)11)7(4-14)6(5)2-12/h3-4,9H,2,12H2,1H3.
What are the key properties of 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
4-(aminomethyl)-2-(difluoromethyl)-5-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 4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 130088514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).