[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine

C8H9F2N3O3 — CID 133100289

IUPAC[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
SMILESCOc1c([N+](=O)[O-])ncc(C(F)F)c1CN
InChIInChI=1S/C8H9F2N3O3/c1-16-6-4(2-11)5(7(9)10)3-12-8(6)13(14)15/h3,7H,2,11H2,1H3
InChIKeyVHJQYCQBCYXZTL-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.39
Rot. Bonds4

About [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine

[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine (PubChem CID 133100289) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
PubChem CID133100289
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Name[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
SMILESCOc1c([N+](=O)[O-])ncc(C(F)F)c1CN
InChIInChI=1S/C8H9F2N3O3/c1-16-6-4(2-11)5(7(9)10)3-12-8(6)13(14)15/h3,7H,2,11H2,1H3
InChIKeyVHJQYCQBCYXZTL-UHFFFAOYSA-N
XLogP1.39
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
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

[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
CID 133100024
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
CID 118846519
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine
CID 130097864
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134677550
4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
CID 130105846
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
CID 130081364

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine (CID 133100289) is [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine is COc1c([N+](=O)[O-])ncc(C(F)F)c1CN.
What is the InChIKey of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine?
The InChIKey is VHJQYCQBCYXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c1-16-6-4(2-11)5(7(9)10)3-12-8(6)13(14)15/h3,7H,2,11H2,1H3.
What are the key properties of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine?
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine has a molecular weight of 233.17 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine is sourced from PubChem (CID 133100289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).