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

C8H7F3N2O — CID 118812841

IUPAC4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
SMILESNCc1cc(C=O)nc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2O/c9-7(10)6-4(2-12)1-5(3-14)13-8(6)11/h1,3,7H,2,12H2
InChIKeyWVCGJRMRENBJCW-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.43
Rot. Bonds3

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

4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde (PubChem CID 118812841) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
PubChem CID118812841
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
SMILESNCc1cc(C=O)nc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2O/c9-7(10)6-4(2-12)1-5(3-14)13-8(6)11/h1,3,7H,2,12H2
InChIKeyWVCGJRMRENBJCW-UHFFFAOYSA-N
XLogP1.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118801665

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde (CID 118812841) is 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde is NCc1cc(C=O)nc(F)c1C(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
The InChIKey is WVCGJRMRENBJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-7(10)6-4(2-12)1-5(3-14)13-8(6)11/h1,3,7H,2,12H2.
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde has a molecular weight of 204.15 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 118812841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).