3,4-dichloro-6-(difluoromethyl)-2-nitropyridine

C6H2Cl2F2N2O2 — CID 130099273

IUPAC3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1nc(C(F)F)cc(Cl)c1Cl
InChIInChI=1S/C6H2Cl2F2N2O2/c7-2-1-3(5(9)10)11-6(4(2)8)12(13)14/h1,5H
InChIKeyKRVDSBDQPHHXMN-UHFFFAOYSA-N
MW243.00 g/mol
LogP3.23
Rot. Bonds2

About 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine

3,4-dichloro-6-(difluoromethyl)-2-nitropyridine (PubChem CID 130099273) has the molecular formula C6H2Cl2F2N2O2 and a molecular weight of 243.00 g/mol. Its IUPAC name is 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine.

Molecular Properties

Compound Name3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
PubChem CID130099273
Molecular FormulaC6H2Cl2F2N2O2
Molecular Weight243.00 g/mol
Exact Mass241.95
IUPAC Name3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1nc(C(F)F)cc(Cl)c1Cl
InChIInChI=1S/C6H2Cl2F2N2O2/c7-2-1-3(5(9)10)11-6(4(2)8)12(13)14/h1,5H
InChIKeyKRVDSBDQPHHXMN-UHFFFAOYSA-N
XLogP3.23
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
3-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130086628
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
CID 118817999
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
CID 130097967
6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
CID 133099440
6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
CID 133099310
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
CID 130074727

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine?
The IUPAC name of 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine (CID 130099273) is 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine.
What is the SMILES notation for 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine?
The canonical SMILES for 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine is O=[N+]([O-])c1nc(C(F)F)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine?
The InChIKey is KRVDSBDQPHHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N2O2/c7-2-1-3(5(9)10)11-6(4(2)8)12(13)14/h1,5H.
What are the key properties of 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine?
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine has a molecular weight of 243.00 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-6-(difluoromethyl)-2-nitropyridine is sourced from PubChem (CID 130099273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).