2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine

C12H6Cl2F3NO — CID 119003076

IUPAC2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccccc1-c1ccnc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-10-8(5-6-18-11(10)14)7-3-1-2-4-9(7)19-12(15,16)17/h1-6H
InChIKeyATMKVNTWTDENJA-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.95
Rot. Bonds2

About 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine

2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 119003076) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID119003076
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccccc1-c1ccnc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-10-8(5-6-18-11(10)14)7-3-1-2-4-9(7)19-12(15,16)17/h1-6H
InChIKeyATMKVNTWTDENJA-UHFFFAOYSA-N
XLogP4.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
2,4-dichloro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 134617905
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
2-chloro-5-nitro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 119022402
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine (CID 119003076) is 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1ccccc1-c1ccnc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is ATMKVNTWTDENJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-10-8(5-6-18-11(10)14)7-3-1-2-4-9(7)19-12(15,16)17/h1-6H.
What are the key properties of 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine?
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 308.09 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 119003076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).