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

C8H8F2N2O4 — CID 118846519

IUPAC[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
SMILESCOc1c([N+](=O)[O-])ncc(CO)c1C(F)F
InChIInChI=1S/C8H8F2N2O4/c1-16-6-5(7(9)10)4(3-13)2-11-8(6)12(14)15/h2,7,13H,3H2,1H3
InChIKeyYVFUTUUGDDKTQX-UHFFFAOYSA-N
MW234.16 g/mol
LogP1.43
Rot. Bonds4

About [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol

[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol (PubChem CID 118846519) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
PubChem CID118846519
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
SMILESCOc1c([N+](=O)[O-])ncc(CO)c1C(F)F
InChIInChI=1S/C8H8F2N2O4/c1-16-6-5(7(9)10)4(3-13)2-11-8(6)12(14)15/h2,7,13H,3H2,1H3
InChIKeyYVFUTUUGDDKTQX-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

[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
CID 133100024
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
CID 118809092
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate
CID 133098665
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
methyl 2-[4-bromo-5-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134675395
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
methyl 2-[4-(difluoromethyl)-5-iodo-2-nitro-3-pyridinyl]acetate
CID 133100899
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
2-[5-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetic acid
CID 133101070

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol (CID 118846519) is [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol is COc1c([N+](=O)[O-])ncc(CO)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol?
The InChIKey is YVFUTUUGDDKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-16-6-5(7(9)10)4(3-13)2-11-8(6)12(14)15/h2,7,13H,3H2,1H3.
What are the key properties of [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol?
[4-(difluoromethyl)-5-methoxy-6-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 [4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 118846519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).