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

C8H7F3N2O — CID 130081680

IUPAC5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
SMILESNCc1cnc(C=O)c(C(F)F)c1F
InChIInChI=1S/C8H7F3N2O/c9-7-4(1-12)2-13-5(3-14)6(7)8(10)11/h2-3,8H,1,12H2
InChIKeyIQVDPPGYQXLQPS-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.43
Rot. Bonds3

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

5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde (PubChem CID 130081680) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
PubChem CID130081680
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
SMILESNCc1cnc(C=O)c(C(F)F)c1F
InChIInChI=1S/C8H7F3N2O/c9-7-4(1-12)2-13-5(3-14)6(7)8(10)11/h2-3,8H,1,12H2
InChIKeyIQVDPPGYQXLQPS-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
CID 130079623
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664232

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde (CID 130081680) is 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde is NCc1cnc(C=O)c(C(F)F)c1F.
What is the InChIKey of 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
The InChIKey is IQVDPPGYQXLQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-7-4(1-12)2-13-5(3-14)6(7)8(10)11/h2-3,8H,1,12H2.
What are the key properties of 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde?
5-(aminomethyl)-3-(difluoromethyl)-4-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 5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 130081680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).