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

C7H6F2N2O3 — CID 118820582

IUPAC[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)c(C(F)F)n1
InChIInChI=1S/C7H6F2N2O3/c8-7(9)6-4(3-12)1-2-5(10-6)11(13)14/h1-2,7,12H,3H2
InChIKeyQSSOYAQCWACPLO-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.42
Rot. Bonds3

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

[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol (PubChem CID 118820582) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
PubChem CID118820582
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)c(C(F)F)n1
InChIInChI=1S/C7H6F2N2O3/c8-7(9)6-4(3-12)1-2-5(10-6)11(13)14/h1-2,7,12H,3H2
InChIKeyQSSOYAQCWACPLO-UHFFFAOYSA-N
XLogP1.42
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.42
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-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine
CID 130097914
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
CID 118814976
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
CID 118832128
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol (CID 118820582) is [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol is O=[N+]([O-])c1ccc(CO)c(C(F)F)n1.
What is the InChIKey of [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
The InChIKey is QSSOYAQCWACPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-7(9)6-4(3-12)1-2-5(10-6)11(13)14/h1-2,7,12H,3H2.
What are the key properties of [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol has a molecular weight of 204.13 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 118820582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).