5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine

C12H6ClF3N2O3 — CID 134629833

IUPAC5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H6ClF3N2O3/c13-7-5-9(18(19)20)11(17-6-7)8-3-1-2-4-10(8)21-12(14,15)16/h1-6H
InChIKeyHPRPQCZQXPIJPW-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.21
Rot. Bonds3

About 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine

5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134629833) has the molecular formula C12H6ClF3N2O3 and a molecular weight of 318.64 g/mol. Its IUPAC name is 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID134629833
Molecular FormulaC12H6ClF3N2O3
Molecular Weight318.64 g/mol
Exact Mass318.00
IUPAC Name5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H6ClF3N2O3/c13-7-5-9(18(19)20)11(17-6-7)8-3-1-2-4-10(8)21-12(14,15)16/h1-6H
InChIKeyHPRPQCZQXPIJPW-UHFFFAOYSA-N
XLogP4.21
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-chloro-5-nitro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 119022402
5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 71283944
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134623593
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086769
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
methyl 3-nitro-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134634430
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
2-chloro-5-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 118799998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine (CID 134629833) is 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine is O=[N+]([O-])c1cc(Cl)cnc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is HPRPQCZQXPIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O3/c13-7-5-9(18(19)20)11(17-6-7)8-3-1-2-4-10(8)21-12(14,15)16/h1-6H.
What are the key properties of 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 318.64 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134629833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).