3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine

C14H10Cl2F3NO — CID 18327281

IUPAC3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
SMILESCOC(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c1-21-13(8-2-4-10(15)5-3-8)12-11(16)6-9(7-20-12)14(17,18)19/h2-7,13H,1H3
InChIKeyIETYNLYMVBCTFG-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.14
Rot. Bonds3

About 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine (PubChem CID 18327281) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
PubChem CID18327281
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC Name3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
SMILESCOC(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c1-21-13(8-2-4-10(15)5-3-8)12-11(16)6-9(7-20-12)14(17,18)19/h2-7,13H,1H3
InChIKeyIETYNLYMVBCTFG-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine (CID 18327281) is 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine is COC(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine?
The InChIKey is IETYNLYMVBCTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c1-21-13(8-2-4-10(15)5-3-8)12-11(16)6-9(7-20-12)14(17,18)19/h2-7,13H,1H3.
What are the key properties of 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine has a molecular weight of 336.14 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 18327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).