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

C8H8F2N2O4 — CID 133100021

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

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

[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol (PubChem CID 133100021) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
PubChem CID133100021
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
SMILESCOc1c(C(F)F)cnc(CO)c1[N+](=O)[O-]
InChIInChI=1S/C8H8F2N2O4/c1-16-7-4(8(9)10)2-11-5(3-13)6(7)12(14)15/h2,8,13H,3H2,1H3
InChIKeyQDZUMTZPHIBIQN-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
[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
CID 118809092
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
[5-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069878
[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130074796
methyl 2-[4-chloro-5-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134670971
methyl 2-[5-(difluoromethyl)-4-iodo-3-nitro-2-pyridinyl]acetate
CID 133101664
[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
CID 118846519
2-[5-(difluoromethyl)-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682963
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol (CID 133100021) is [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol is COc1c(C(F)F)cnc(CO)c1[N+](=O)[O-].
What is the InChIKey of [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol?
The InChIKey is QDZUMTZPHIBIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-16-7-4(8(9)10)2-11-5(3-13)6(7)12(14)15/h2,8,13H,3H2,1H3.
What are the key properties of [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol?
[5-(difluoromethyl)-4-methoxy-3-nitro-2-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 [5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol is sourced from PubChem (CID 133100021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).