2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine

C7H8F2N4O2 — CID 134663951

IUPAC2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
SMILESNCc1ncc(C(F)F)c([N+](=O)[O-])c1N
InChIInChI=1S/C7H8F2N4O2/c8-7(9)3-2-12-4(1-10)5(11)6(3)13(14)15/h2,7H,1,10-11H2
InChIKeyPLRKDYVFDWBMHY-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.97
Rot. Bonds3

About 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine

2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine (PubChem CID 134663951) has the molecular formula C7H8F2N4O2 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
PubChem CID134663951
Molecular FormulaC7H8F2N4O2
Molecular Weight218.16 g/mol
Exact Mass218.06
IUPAC Name2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
SMILESNCc1ncc(C(F)F)c([N+](=O)[O-])c1N
InChIInChI=1S/C7H8F2N4O2/c8-7(9)3-2-12-4(1-10)5(11)6(3)13(14)15/h2,7H,1,10-11H2
InChIKeyPLRKDYVFDWBMHY-UHFFFAOYSA-N
XLogP0.97
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
CID 130081364
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 118827149
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
CID 130086547
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
2-(aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118850860
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
CID 119016926
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine?
The IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine (CID 134663951) is 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine.
What is the SMILES notation for 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine?
The canonical SMILES for 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine is NCc1ncc(C(F)F)c([N+](=O)[O-])c1N.
What is the InChIKey of 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine?
The InChIKey is PLRKDYVFDWBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O2/c8-7(9)3-2-12-4(1-10)5(11)6(3)13(14)15/h2,7H,1,10-11H2.
What are the key properties of 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine?
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine has a molecular weight of 218.16 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine is sourced from PubChem (CID 134663951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).