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

C8H9F2N3O3 — CID 133100302

IUPAC[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
SMILESCOc1nc(C(F)F)c([N+](=O)[O-])cc1CN
InChIInChI=1S/C8H9F2N3O3/c1-16-8-4(3-11)2-5(13(14)15)6(12-8)7(9)10/h2,7H,3,11H2,1H3
InChIKeyHLFCHNOZESRXJR-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.39
Rot. Bonds4

About [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine

[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine (PubChem CID 133100302) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
PubChem CID133100302
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Name[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
SMILESCOc1nc(C(F)F)c([N+](=O)[O-])cc1CN
InChIInChI=1S/C8H9F2N3O3/c1-16-8-4(3-11)2-5(13(14)15)6(12-8)7(9)10/h2,7H,3,11H2,1H3
InChIKeyHLFCHNOZESRXJR-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

2-[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetic acid
CID 118803866
[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
CID 118832128
ethyl 2-[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]acetate
CID 133099876
2-(difluoromethyl)-6-methoxy-5-nitropyridin-3-ol
CID 118843155
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
2-[5-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]acetic acid
CID 133098992
2-(difluoromethyl)-5-methoxy-3-nitropyridine
CID 118843391
[5-bromo-2-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068716
6-(difluoromethyl)-5-methoxy-3-nitropyridin-2-amine
CID 119002952
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
ethyl 2-[6-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetate
CID 133104681

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine (CID 133100302) is [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine is COc1nc(C(F)F)c([N+](=O)[O-])cc1CN.
What is the InChIKey of [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine?
The InChIKey is HLFCHNOZESRXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c1-16-8-4(3-11)2-5(13(14)15)6(12-8)7(9)10/h2,7H,3,11H2,1H3.
What are the key properties of [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine?
[6-(difluoromethyl)-2-methoxy-5-nitro-3-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 [6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine is sourced from PubChem (CID 133100302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).