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

C7H8F2N4O2 — CID 134676856

IUPAC3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
SMILESNCc1c(C(F)F)cc([N+](=O)[O-])nc1N
InChIInChI=1S/C7H8F2N4O2/c8-6(9)3-1-5(13(14)15)12-7(11)4(3)2-10/h1,6H,2,10H2,(H2,11,12)
InChIKeyJVMDUBXRXDICPG-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.97
Rot. Bonds3

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

3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine (PubChem CID 134676856) has the molecular formula C7H8F2N4O2 and a molecular weight of 218.16 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
PubChem CID134676856
Molecular FormulaC7H8F2N4O2
Molecular Weight218.16 g/mol
Exact Mass218.06
IUPAC Name3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
SMILESNCc1c(C(F)F)cc([N+](=O)[O-])nc1N
InChIInChI=1S/C7H8F2N4O2/c8-6(9)3-1-5(13(14)15)12-7(11)4(3)2-10/h1,6H,2,10H2,(H2,11,12)
InChIKeyJVMDUBXRXDICPG-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

4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
CID 118814451
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 119013250
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-nitro-3-pyridinyl]acetate
CID 133104916
4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
CID 118823903
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine (CID 134676856) is 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine is NCc1c(C(F)F)cc([N+](=O)[O-])nc1N.
What is the InChIKey of 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine?
The InChIKey is JVMDUBXRXDICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O2/c8-6(9)3-1-5(13(14)15)12-7(11)4(3)2-10/h1,6H,2,10H2,(H2,11,12).
What are the key properties of 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine?
3-(aminomethyl)-4-(difluoromethyl)-6-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 3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine is sourced from PubChem (CID 134676856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).