2,3,6-trichloro-4-(trifluoromethoxy)pyridine

C6HCl3F3NO — CID 119007597

IUPAC2,3,6-trichloro-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6HCl3F3NO/c7-3-1-2(14-6(10,11)12)4(8)5(9)13-3/h1H
InChIKeyKDLSXNFTNQZQRT-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.94
Rot. Bonds1

About 2,3,6-trichloro-4-(trifluoromethoxy)pyridine

2,3,6-trichloro-4-(trifluoromethoxy)pyridine (PubChem CID 119007597) has the molecular formula C6HCl3F3NO and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,3,6-trichloro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,3,6-trichloro-4-(trifluoromethoxy)pyridine
PubChem CID119007597
Molecular FormulaC6HCl3F3NO
Molecular Weight266.43 g/mol
Exact Mass264.91
IUPAC Name2,3,6-trichloro-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6HCl3F3NO/c7-3-1-2(14-6(10,11)12)4(8)5(9)13-3/h1H
InChIKeyKDLSXNFTNQZQRT-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.94
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

methyl N-[2,6-dichloro-4-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 132579428
6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 133087757
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 133087764
2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 130089695
6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089776
methyl 6-chloro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 133087799
6-amino-2-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118999095
2-chloro-5-(chloromethyl)-3-(trifluoromethoxy)aniline
CID 131324856
2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine
CID 14044309
2-chloro-5-fluoro-3-(trifluoromethoxy)pyridine
CID 119020397

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2,3,6-trichloro-4-(trifluoromethoxy)pyridine (CID 119007597) is 2,3,6-trichloro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,3,6-trichloro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,3,6-trichloro-4-(trifluoromethoxy)pyridine is FC(F)(F)Oc1cc(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,3,6-trichloro-4-(trifluoromethoxy)pyridine?
The InChIKey is KDLSXNFTNQZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3F3NO/c7-3-1-2(14-6(10,11)12)4(8)5(9)13-3/h1H.
What are the key properties of 2,3,6-trichloro-4-(trifluoromethoxy)pyridine?
2,3,6-trichloro-4-(trifluoromethoxy)pyridine has a molecular weight of 266.43 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119007597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).