4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol

C6H3F3N2O3 — CID 118852034

IUPAC4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(F)cc(C(F)F)c1O
InChIInChI=1S/C6H3F3N2O3/c7-3-1-2(5(8)9)4(12)6(10-3)11(13)14/h1,5,12H
InChIKeyQNUNUYFUTXKASD-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.77
Rot. Bonds2

About 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol

4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol (PubChem CID 118852034) has the molecular formula C6H3F3N2O3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
PubChem CID118852034
Molecular FormulaC6H3F3N2O3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(F)cc(C(F)F)c1O
InChIInChI=1S/C6H3F3N2O3/c7-3-1-2(5(8)9)4(12)6(10-3)11(13)14/h1,5,12H
InChIKeyQNUNUYFUTXKASD-UHFFFAOYSA-N
XLogP1.77
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
CID 130084419
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol (CID 118852034) is 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol is O=[N+]([O-])c1nc(F)cc(C(F)F)c1O.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol?
The InChIKey is QNUNUYFUTXKASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3/c7-3-1-2(5(8)9)4(12)6(10-3)11(13)14/h1,5,12H.
What are the key properties of 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol?
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol has a molecular weight of 208.09 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol is sourced from PubChem (CID 118852034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).