4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde

C8H9F2N3O — CID 118801124

IUPAC4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1ncc(C=O)c(N)c1C(F)F
InChIInChI=1S/C8H9F2N3O/c9-8(10)6-5(1-11)13-2-4(3-14)7(6)12/h2-3,8H,1,11H2,(H2,12,13)
InChIKeyVOFRZCKYKBGUEA-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.87
Rot. Bonds3

About 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde

4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118801124) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID118801124
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1ncc(C=O)c(N)c1C(F)F
InChIInChI=1S/C8H9F2N3O/c9-8(10)6-5(1-11)13-2-4(3-14)7(6)12/h2-3,8H,1,11H2,(H2,12,13)
InChIKeyVOFRZCKYKBGUEA-UHFFFAOYSA-N
XLogP0.87
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118847981
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 130104859
4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118845258
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde (CID 118801124) is 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde is NCc1ncc(C=O)c(N)c1C(F)F.
What is the InChIKey of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is VOFRZCKYKBGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)6-5(1-11)13-2-4(3-14)7(6)12/h2-3,8H,1,11H2,(H2,12,13).
What are the key properties of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 201.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118801124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).