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

C7H3ClF2N2O4 — CID 118829446

IUPAC4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])cc(C(F)F)c1O
InChIInChI=1S/C7H3ClF2N2O4/c8-6(14)4-5(13)2(7(9)10)1-3(11-4)12(15)16/h1,7,13H
InChIKeyMNWOBYVVTBNCQK-UHFFFAOYSA-N
MW252.56 g/mol
LogP2.01
Rot. Bonds3

About 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride

4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride (PubChem CID 118829446) has the molecular formula C7H3ClF2N2O4 and a molecular weight of 252.56 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
PubChem CID118829446
Molecular FormulaC7H3ClF2N2O4
Molecular Weight252.56 g/mol
Exact Mass251.97
IUPAC Name4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])cc(C(F)F)c1O
InChIInChI=1S/C7H3ClF2N2O4/c8-6(14)4-5(13)2(7(9)10)1-3(11-4)12(15)16/h1,7,13H
InChIKeyMNWOBYVVTBNCQK-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

methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
CID 133103216
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
6-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130072799
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
2-[4-(difluoromethyl)-3-hydroxy-6-nitro-2-pyridinyl]acetonitrile
CID 118823788
2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
CID 118826585
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
CID 118823903
4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride (CID 118829446) is 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride is O=C(Cl)c1nc([N+](=O)[O-])cc(C(F)F)c1O.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride?
The InChIKey is MNWOBYVVTBNCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O4/c8-6(14)4-5(13)2(7(9)10)1-3(11-4)12(15)16/h1,7,13H.
What are the key properties of 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride?
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-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 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 118829446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).