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

C7H5ClF2N2O3 — CID 130074786

IUPAC[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1nc(C(F)F)c(Cl)cc1CO
InChIInChI=1S/C7H5ClF2N2O3/c8-4-1-3(2-13)7(12(14)15)11-5(4)6(9)10/h1,6,13H,2H2
InChIKeyQEQPIQVFPDUYBA-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.07
Rot. Bonds3

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

[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol (PubChem CID 130074786) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
PubChem CID130074786
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1nc(C(F)F)c(Cl)cc1CO
InChIInChI=1S/C7H5ClF2N2O3/c8-4-1-3(2-13)7(12(14)15)11-5(4)6(9)10/h1,6,13H,2H2
InChIKeyQEQPIQVFPDUYBA-UHFFFAOYSA-N
XLogP2.07
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661
ethyl 2-[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]acetate
CID 134667820
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
CID 118814976
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol
CID 130073280
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134685549
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 118820582
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
CID 118826321
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol (CID 130074786) is [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol is O=[N+]([O-])c1nc(C(F)F)c(Cl)cc1CO.
What is the InChIKey of [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol?
The InChIKey is QEQPIQVFPDUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c8-4-1-3(2-13)7(12(14)15)11-5(4)6(9)10/h1,6,13H,2H2.
What are the key properties of [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol?
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol has a molecular weight of 238.58 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 130074786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).