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

C8H9F2N3O2 — CID 118814451

IUPAC[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
SMILESCc1c(C(F)F)cc([N+](=O)[O-])nc1CN
InChIInChI=1S/C8H9F2N3O2/c1-4-5(8(9)10)2-7(13(14)15)12-6(4)3-11/h2,8H,3,11H2,1H3
InChIKeyGPKSEZUZUVAJHH-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.69
Rot. Bonds3

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

[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine (PubChem CID 118814451) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
PubChem CID118814451
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
SMILESCc1c(C(F)F)cc([N+](=O)[O-])nc1CN
InChIInChI=1S/C8H9F2N3O2/c1-4-5(8(9)10)2-7(13(14)15)12-6(4)3-11/h2,8H,3,11H2,1H3
InChIKeyGPKSEZUZUVAJHH-UHFFFAOYSA-N
XLogP1.69
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.69
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 [4-(difluoromethyl)-3-methyl-6-nitro-2-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-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202
[3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine
CID 130088155
2-[4-(difluoromethyl)-3-hydroxy-6-nitro-2-pyridinyl]acetonitrile
CID 118823788
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-nitro-3-pyridinyl]acetate
CID 133104916

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine (CID 118814451) is [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine is Cc1c(C(F)F)cc([N+](=O)[O-])nc1CN.
What is the InChIKey of [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine?
The InChIKey is GPKSEZUZUVAJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-4-5(8(9)10)2-7(13(14)15)12-6(4)3-11/h2,8H,3,11H2,1H3.
What are the key properties of [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine?
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine has a molecular weight of 217.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine is sourced from PubChem (CID 118814451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).