5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol

C6H3ClF2N2O3 — CID 130072355

IUPAC5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
SMILESO=[N+]([O-])c1c(O)cnc(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF2N2O3/c7-3-4(6(8)9)10-1-2(12)5(3)11(13)14/h1,6,12H
InChIKeyJZNKICKRGXSQFU-UHFFFAOYSA-N
MW224.55 g/mol
LogP2.29
Rot. Bonds2

About 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol

5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol (PubChem CID 130072355) has the molecular formula C6H3ClF2N2O3 and a molecular weight of 224.55 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
PubChem CID130072355
Molecular FormulaC6H3ClF2N2O3
Molecular Weight224.55 g/mol
Exact Mass223.98
IUPAC Name5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
SMILESO=[N+]([O-])c1c(O)cnc(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF2N2O3/c7-3-4(6(8)9)10-1-2(12)5(3)11(13)14/h1,6,12H
InChIKeyJZNKICKRGXSQFU-UHFFFAOYSA-N
XLogP2.29
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.55
LogP ≤ 52.29
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

4-chloro-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118800128
5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130073070
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
4-chloro-6-(difluoromethyl)-5-methylpyridin-3-ol
CID 130072333
3-chloro-2-(difluoromethyl)-5-hydroxypyridine-4-carbonitrile
CID 130070938
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 134661128
methyl 2-[3-chloro-2-(difluoromethyl)-5-nitro-4-pyridinyl]acetate
CID 134674401
methyl 6-(difluoromethyl)-5-hydroxy-4-nitropyridine-3-carboxylate
CID 133102814
6-(difluoromethyl)-4-methyl-5-nitropyridine-3-carboxylic acid
CID 118815166
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115
[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
CID 130106954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol?
The IUPAC name of 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol (CID 130072355) is 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol is O=[N+]([O-])c1c(O)cnc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol?
The InChIKey is JZNKICKRGXSQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N2O3/c7-3-4(6(8)9)10-1-2(12)5(3)11(13)14/h1,6,12H.
What are the key properties of 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol?
5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol has a molecular weight of 224.55 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol is sourced from PubChem (CID 130072355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).