2-chloro-4-(difluoromethyl)-6-nitropyridine

C6H3ClF2N2O2 — CID 118997619

IUPAC2-chloro-4-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)cc(Cl)n1
InChIInChI=1S/C6H3ClF2N2O2/c7-4-1-3(6(8)9)2-5(10-4)11(12)13/h1-2,6H
InChIKeyCZYNGJRWHRUJOC-UHFFFAOYSA-N
MW208.55 g/mol
LogP2.58
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)-6-nitropyridine

2-chloro-4-(difluoromethyl)-6-nitropyridine (PubChem CID 118997619) has the molecular formula C6H3ClF2N2O2 and a molecular weight of 208.55 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-nitropyridine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-nitropyridine
PubChem CID118997619
Molecular FormulaC6H3ClF2N2O2
Molecular Weight208.55 g/mol
Exact Mass207.99
IUPAC Name2-chloro-4-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)cc(Cl)n1
InChIInChI=1S/C6H3ClF2N2O2/c7-4-1-3(6(8)9)2-5(10-4)11(12)13/h1-2,6H
InChIKeyCZYNGJRWHRUJOC-UHFFFAOYSA-N
XLogP2.58
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.55
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
CID 118829209
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
2,4-dichloro-6-nitropyrimidine
CID 19391209
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
CID 118845280
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
CID 118804420
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 119013250
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-nitropyridine?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-nitropyridine (CID 118997619) is 2-chloro-4-(difluoromethyl)-6-nitropyridine.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-nitropyridine?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-nitropyridine is O=[N+]([O-])c1cc(C(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-nitropyridine?
The InChIKey is CZYNGJRWHRUJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N2O2/c7-4-1-3(6(8)9)2-5(10-4)11(12)13/h1-2,6H.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-nitropyridine?
2-chloro-4-(difluoromethyl)-6-nitropyridine has a molecular weight of 208.55 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-nitropyridine is sourced from PubChem (CID 118997619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).