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

C7H5F2IN2O3 — CID 118814976

IUPAC[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1nc(C(F)F)c(CO)cc1I
InChIInChI=1S/C7H5F2IN2O3/c8-6(9)5-3(2-13)1-4(10)7(11-5)12(14)15/h1,6,13H,2H2
InChIKeyPVLYQMDXIPNDOQ-UHFFFAOYSA-N
MW330.03 g/mol
LogP2.02
Rot. Bonds3

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

[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol (PubChem CID 118814976) has the molecular formula C7H5F2IN2O3 and a molecular weight of 330.03 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
PubChem CID118814976
Molecular FormulaC7H5F2IN2O3
Molecular Weight330.03 g/mol
Exact Mass329.93
IUPAC Name[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1nc(C(F)F)c(CO)cc1I
InChIInChI=1S/C7H5F2IN2O3/c8-6(9)5-3(2-13)1-4(10)7(11-5)12(14)15/h1,6,13H,2H2
InChIKeyPVLYQMDXIPNDOQ-UHFFFAOYSA-N
XLogP2.02
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.03
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
CID 118848577
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073
[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 118820582
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
CID 118832128
[2-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]methanol
CID 118848642
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
[2-amino-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118993177
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol (CID 118814976) is [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol is O=[N+]([O-])c1nc(C(F)F)c(CO)cc1I.
What is the InChIKey of [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol?
The InChIKey is PVLYQMDXIPNDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O3/c8-6(9)5-3(2-13)1-4(10)7(11-5)12(14)15/h1,6,13H,2H2.
What are the key properties of [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol?
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol has a molecular weight of 330.03 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 118814976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).