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

C8H8F2N2O4 — CID 118832128

IUPAC[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
SMILESCOc1nc(C(F)F)c(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8F2N2O4/c1-16-8-5(12(14)15)2-4(3-13)6(11-8)7(9)10/h2,7,13H,3H2,1H3
InChIKeyGFGALBDUXHPHEG-UHFFFAOYSA-N
MW234.16 g/mol
LogP1.43
Rot. Bonds4

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

[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol (PubChem CID 118832128) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
PubChem CID118832128
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
SMILESCOc1nc(C(F)F)c(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8F2N2O4/c1-16-8-5(12(14)15)2-4(3-13)6(11-8)7(9)10/h2,7,13H,3H2,1H3
InChIKeyGFGALBDUXHPHEG-UHFFFAOYSA-N
XLogP1.43
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 51.43
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-(difluoromethyl)-6-methoxy-5-nitropyridin-3-ol
CID 118843155
ethyl 2-[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]acetate
CID 133099876
2-[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetic acid
CID 118803866
[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
CID 133100302
[2-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]methanol
CID 118848642
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
CID 133100033
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
CID 118814976
2-[6-(difluoromethyl)-2-methoxy-4-nitro-3-pyridinyl]acetic acid
CID 133099793
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
2-[5-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]acetic acid
CID 133098992

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol (CID 118832128) is [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol is COc1nc(C(F)F)c(CO)cc1[N+](=O)[O-].
What is the InChIKey of [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol?
The InChIKey is GFGALBDUXHPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-16-8-5(12(14)15)2-4(3-13)6(11-8)7(9)10/h2,7,13H,3H2,1H3.
What are the key properties of [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol?
[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol has a molecular weight of 234.16 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 118832128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).