4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride

C7H2Cl2F2N2O3 — CID 118833974

IUPAC4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H2Cl2F2N2O3/c8-2-1-3(6(9)14)12-4(7(10)11)5(2)13(15)16/h1,7H
InChIKeyCLWBKPAWTLEZRG-UHFFFAOYSA-N
MW271.01 g/mol
LogP2.96
Rot. Bonds3

About 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride

4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride (PubChem CID 118833974) has the molecular formula C7H2Cl2F2N2O3 and a molecular weight of 271.01 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride
PubChem CID118833974
Molecular FormulaC7H2Cl2F2N2O3
Molecular Weight271.01 g/mol
Exact Mass269.94
IUPAC Name4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H2Cl2F2N2O3/c8-2-1-3(6(9)14)12-4(7(10)11)5(2)13(15)16/h1,7H
InChIKeyCLWBKPAWTLEZRG-UHFFFAOYSA-N
XLogP2.96
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.01
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-6-(difluoromethyl)-5-nitropyridine-2-carboxylate
CID 134677721
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
CID 118803999
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
methyl 2-[4-chloro-6-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134670969
4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
CID 133099090
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride?
The IUPAC name of 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride (CID 118833974) is 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride is O=C(Cl)c1cc(Cl)c([N+](=O)[O-])c(C(F)F)n1.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride?
The InChIKey is CLWBKPAWTLEZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2N2O3/c8-2-1-3(6(9)14)12-4(7(10)11)5(2)13(15)16/h1,7H.
What are the key properties of 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride?
4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride has a molecular weight of 271.01 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 118833974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).