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

C7H6F2N2O3 — CID 130097958

IUPAC[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ncc1C(F)F
InChIInChI=1S/C7H6F2N2O3/c8-7(9)5-2-10-4(3-12)1-6(5)11(13)14/h1-2,7,12H,3H2
InChIKeyYVLHFGHVYGQMAH-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.42
Rot. Bonds3

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

[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol (PubChem CID 130097958) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
PubChem CID130097958
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ncc1C(F)F
InChIInChI=1S/C7H6F2N2O3/c8-7(9)5-2-10-4(3-12)1-6(5)11(13)14/h1-2,7,12H,3H2
InChIKeyYVLHFGHVYGQMAH-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

methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
(5-butyl-4-nitro-2-pyridinyl)methanol
CID 13154058
[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803499
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098028
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
[5-(difluoromethyl)-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134682904

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol (CID 130097958) is [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol is O=[N+]([O-])c1cc(CO)ncc1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
The InChIKey is YVLHFGHVYGQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-7(9)5-2-10-4(3-12)1-6(5)11(13)14/h1-2,7,12H,3H2.
What are the key properties of [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
[5-(difluoromethyl)-4-nitro-2-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 [5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol is sourced from PubChem (CID 130097958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).