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

C7H2Cl2F2N2O3 — CID 134685592

IUPAC3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)cnc([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H2Cl2F2N2O3/c8-4-3(5(9)14)2(6(10)11)1-12-7(4)13(15)16/h1,6H
InChIKeyAFSRNIHZGOLKDR-UHFFFAOYSA-N
MW271.01 g/mol
LogP2.96
Rot. Bonds3

About 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride

3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride (PubChem CID 134685592) has the molecular formula C7H2Cl2F2N2O3 and a molecular weight of 271.01 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
PubChem CID134685592
Molecular FormulaC7H2Cl2F2N2O3
Molecular Weight271.01 g/mol
Exact Mass269.94
IUPAC Name3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)cnc([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H2Cl2F2N2O3/c8-4-3(5(9)14)2(6(10)11)1-12-7(4)13(15)16/h1,6H
InChIKeyAFSRNIHZGOLKDR-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

ethyl 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carboxylate
CID 134667804
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
ethyl 5-(difluoromethyl)-3-methyl-2-nitropyridine-4-carboxylate
CID 133098749
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride?
The IUPAC name of 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride (CID 134685592) is 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride is O=C(Cl)c1c(C(F)F)cnc([N+](=O)[O-])c1Cl.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride?
The InChIKey is AFSRNIHZGOLKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2N2O3/c8-4-3(5(9)14)2(6(10)11)1-12-7(4)13(15)16/h1,6H.
What are the key properties of 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride?
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-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 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride is sourced from PubChem (CID 134685592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).