5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde

C9H7F5N2O — CID 133084494

IUPAC5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESNCc1cnc(C(F)(F)F)c(C(F)F)c1C=O
InChIInChI=1S/C9H7F5N2O/c10-8(11)6-5(3-17)4(1-15)2-16-7(6)9(12,13)14/h2-3,8H,1,15H2
InChIKeyDRXZBYXDGUTLLY-UHFFFAOYSA-N
MW254.16 g/mol
LogP2.31
Rot. Bonds3

About 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde

5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 133084494) has the molecular formula C9H7F5N2O and a molecular weight of 254.16 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID133084494
Molecular FormulaC9H7F5N2O
Molecular Weight254.16 g/mol
Exact Mass254.05
IUPAC Name5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESNCc1cnc(C(F)(F)F)c(C(F)F)c1C=O
InChIInChI=1S/C9H7F5N2O/c10-8(11)6-5(3-17)4(1-15)2-16-7(6)9(12,13)14/h2-3,8H,1,15H2
InChIKeyDRXZBYXDGUTLLY-UHFFFAOYSA-N
XLogP2.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 52.31
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)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130087741
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130085432
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118846102
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250
ethyl 2-[4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676322

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde (CID 133084494) is 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde is NCc1cnc(C(F)(F)F)c(C(F)F)c1C=O.
What is the InChIKey of 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is DRXZBYXDGUTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O/c10-8(11)6-5(3-17)4(1-15)2-16-7(6)9(12,13)14/h2-3,8H,1,15H2.
What are the key properties of 5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde?
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 254.16 g/mol, XLogP of 2.31, 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)-2-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 133084494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).