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

C8H8F2N2O4 — CID 118809092

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

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

[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol (PubChem CID 118809092) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
PubChem CID118809092
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
SMILESCOc1c(CO)cnc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H8F2N2O4/c1-16-7-4(3-13)2-11-5(8(9)10)6(7)12(14)15/h2,8,13H,3H2,1H3
InChIKeyPTPNLYYDBIKJCH-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

[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
CID 118846519
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781
[5-chloro-6-(difluoromethyl)-4-methoxy-3-pyridinyl]methanol
CID 130073877
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetic acid
CID 133099309
[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
CID 130106954
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
CID 133100024
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetonitrile
CID 118843223
2-(difluoromethyl)-5-methoxy-4-nitropyridine-3-carboxylic acid
CID 118831830
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
methyl 2-(difluoromethyl)-4-methoxy-5-nitropyridine-3-carboxylate
CID 133099332

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol (CID 118809092) is [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol is COc1c(CO)cnc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol?
The InChIKey is PTPNLYYDBIKJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-16-7-4(3-13)2-11-5(8(9)10)6(7)12(14)15/h2,8,13H,3H2,1H3.
What are the key properties of [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol?
[6-(difluoromethyl)-4-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 [6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 118809092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).