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

C7H8F2N4O2 — CID 119014709

IUPAC6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
SMILESNCc1cc([N+](=O)[O-])c(C(F)F)c(N)n1
InChIInChI=1S/C7H8F2N4O2/c8-6(9)5-4(13(14)15)1-3(2-10)12-7(5)11/h1,6H,2,10H2,(H2,11,12)
InChIKeyNUHITTUBFNWHHF-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.97
Rot. Bonds3

About 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine

6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine (PubChem CID 119014709) has the molecular formula C7H8F2N4O2 and a molecular weight of 218.16 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
PubChem CID119014709
Molecular FormulaC7H8F2N4O2
Molecular Weight218.16 g/mol
Exact Mass218.06
IUPAC Name6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
SMILESNCc1cc([N+](=O)[O-])c(C(F)F)c(N)n1
InChIInChI=1S/C7H8F2N4O2/c8-6(9)5-4(13(14)15)1-3(2-10)12-7(5)11/h1,6H,2,10H2,(H2,11,12)
InChIKeyNUHITTUBFNWHHF-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

6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828
[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
CID 118831501
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
CID 119016926
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
[5-(difluoromethyl)-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134682904
[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
CID 133100302
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine (CID 119014709) is 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine is NCc1cc([N+](=O)[O-])c(C(F)F)c(N)n1.
What is the InChIKey of 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine?
The InChIKey is NUHITTUBFNWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O2/c8-6(9)5-4(13(14)15)1-3(2-10)12-7(5)11/h1,6H,2,10H2,(H2,11,12).
What are the key properties of 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine?
6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-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 6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 119014709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).