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

C8H9F2N3O2 — CID 130088155

IUPAC[3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine
SMILESCc1nc([N+](=O)[O-])cc(CN)c1C(F)F
InChIInChI=1S/C8H9F2N3O2/c1-4-7(8(9)10)5(3-11)2-6(12-4)13(14)15/h2,8H,3,11H2,1H3
InChIKeyVBWFIZBYBXUKDS-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.69
Rot. Bonds3

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

[3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine (PubChem CID 130088155) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine
PubChem CID130088155
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name[3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine
SMILESCc1nc([N+](=O)[O-])cc(CN)c1C(F)F
InChIInChI=1S/C8H9F2N3O2/c1-4-7(8(9)10)5(3-11)2-6(12-4)13(14)15/h2,8H,3,11H2,1H3
InChIKeyVBWFIZBYBXUKDS-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'}

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Related Compounds

[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
CID 118814451
ethyl 2-[3-(difluoromethyl)-4-methyl-6-nitro-2-pyridinyl]acetate
CID 133099088
2-[3-(difluoromethyl)-2-methoxy-6-nitro-4-pyridinyl]acetic acid
CID 133099947
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
CID 130106484

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine?
The IUPAC name of [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine (CID 130088155) is [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine is Cc1nc([N+](=O)[O-])cc(CN)c1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine?
The InChIKey is VBWFIZBYBXUKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-4-7(8(9)10)5(3-11)2-6(12-4)13(14)15/h2,8H,3,11H2,1H3.
What are the key properties of [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine?
[3-(difluoromethyl)-2-methyl-6-nitro-4-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 [3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine is sourced from PubChem (CID 130088155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).