6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde

C7H6F2N2O — CID 118997022

IUPAC6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(C(F)F)cc(C=O)n1
InChIInChI=1S/C7H6F2N2O/c8-7(9)4-1-5(3-12)11-6(10)2-4/h1-3,7H,(H2,10,11)
InChIKeyRSBCTEVQCPUBGS-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.41
Rot. Bonds2

About 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde

6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118997022) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID118997022
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(C(F)F)cc(C=O)n1
InChIInChI=1S/C7H6F2N2O/c8-7(9)4-1-5(3-12)11-6(10)2-4/h1-3,7H,(H2,10,11)
InChIKeyRSBCTEVQCPUBGS-UHFFFAOYSA-N
XLogP1.41
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.41
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

6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
6-amino-4-chloropyridine-2-carbaldehyde
CID 130848875
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
CID 119010249
5-amino-6-bromo-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102081
6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119008459
6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130104210
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
2-(difluoromethyl)-3-fluoro-6-formylpyridine-4-carbonitrile
CID 130076245

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 118997022) is 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde is Nc1cc(C(F)F)cc(C=O)n1.
What is the InChIKey of 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is RSBCTEVQCPUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-7(9)4-1-5(3-12)11-6(10)2-4/h1-3,7H,(H2,10,11).
What are the key properties of 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde?
6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 172.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118997022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).