6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde

C8H9F2N3O — CID 130107032

IUPAC6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
SMILESNCc1c(C=O)cc(N)nc1C(F)F
InChIInChI=1S/C8H9F2N3O/c9-8(10)7-5(2-11)4(3-14)1-6(12)13-7/h1,3,8H,2,11H2,(H2,12,13)
InChIKeyZKKXACKDAOLYJG-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.87
Rot. Bonds3

About 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde

6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130107032) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID130107032
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
SMILESNCc1c(C=O)cc(N)nc1C(F)F
InChIInChI=1S/C8H9F2N3O/c9-8(10)7-5(2-11)4(3-14)1-6(12)13-7/h1,3,8H,2,11H2,(H2,12,13)
InChIKeyZKKXACKDAOLYJG-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

5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075297
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075022
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119014492
[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
CID 130105451
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 130098054
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde (CID 130107032) is 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde is NCc1c(C=O)cc(N)nc1C(F)F.
What is the InChIKey of 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is ZKKXACKDAOLYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)7-5(2-11)4(3-14)1-6(12)13-7/h1,3,8H,2,11H2,(H2,12,13).
What are the key properties of 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde?
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-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 6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130107032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).