2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride

C7H3ClF2N2O4 — CID 118843487

IUPAC2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(O)c([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C7H3ClF2N2O4/c8-5(14)2-1-3(13)7(12(15)16)11-4(2)6(9)10/h1,6,13H
InChIKeyYUUQEUZHFHKTPD-UHFFFAOYSA-N
MW252.56 g/mol
LogP2.01
Rot. Bonds3

About 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride

2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride (PubChem CID 118843487) has the molecular formula C7H3ClF2N2O4 and a molecular weight of 252.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
PubChem CID118843487
Molecular FormulaC7H3ClF2N2O4
Molecular Weight252.56 g/mol
Exact Mass251.97
IUPAC Name2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(O)c([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C7H3ClF2N2O4/c8-5(14)2-1-3(13)7(12(15)16)11-4(2)6(9)10/h1,6,13H
InChIKeyYUUQEUZHFHKTPD-UHFFFAOYSA-N
XLogP2.01
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.56
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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

2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
CID 118826321
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
CID 130110130
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
CID 118848577
6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride (CID 118843487) is 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride is O=C(Cl)c1cc(O)c([N+](=O)[O-])nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride?
The InChIKey is YUUQEUZHFHKTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O4/c8-5(14)2-1-3(13)7(12(15)16)11-4(2)6(9)10/h1,6,13H.
What are the key properties of 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride?
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride has a molecular weight of 252.56 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride is sourced from PubChem (CID 118843487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).