[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine

C7H6F3N3O2 — CID 130081370

IUPAC[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
SMILESNCc1cc([N+](=O)[O-])nc(C(F)F)c1F
InChIInChI=1S/C7H6F3N3O2/c8-5-3(2-11)1-4(13(14)15)12-6(5)7(9)10/h1,7H,2,11H2
InChIKeyNHSMKEQODDVYOZ-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.53
Rot. Bonds3

About [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine

[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine (PubChem CID 130081370) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
PubChem CID130081370
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
SMILESNCc1cc([N+](=O)[O-])nc(C(F)F)c1F
InChIInChI=1S/C7H6F3N3O2/c8-5-3(2-11)1-4(13(14)15)12-6(5)7(9)10/h1,7H,2,11H2
InChIKeyNHSMKEQODDVYOZ-UHFFFAOYSA-N
XLogP1.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine
CID 130088155
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953
[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
CID 118807137
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 118820582
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
CID 118814451
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
2-[4-chloro-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118817087
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
CID 119009076

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine (CID 130081370) is [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine is NCc1cc([N+](=O)[O-])nc(C(F)F)c1F.
What is the InChIKey of [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine?
The InChIKey is NHSMKEQODDVYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-5-3(2-11)1-4(13(14)15)12-6(5)7(9)10/h1,7H,2,11H2.
What are the key properties of [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine?
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine has a molecular weight of 221.14 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine is sourced from PubChem (CID 130081370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).