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

C14H10Cl2F3NO — CID 19068732

IUPAC3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCOCc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c1-21-7-9-4-8(2-3-11(9)15)13-12(16)5-10(6-20-13)14(17,18)19/h2-6H,7H2,1H3
InChIKeyPHMTWDQJJIUMAD-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.22
Rot. Bonds3

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

3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 19068732) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is 3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID19068732
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC Name3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCOCc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c1-21-7-9-4-8(2-3-11(9)15)13-12(16)5-10(6-20-13)14(17,18)19/h2-6H,7H2,1H3
InChIKeyPHMTWDQJJIUMAD-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
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-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine (CID 19068732) is 3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine is COCc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is PHMTWDQJJIUMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c1-21-7-9-4-8(2-3-11(9)15)13-12(16)5-10(6-20-13)14(17,18)19/h2-6H,7H2,1H3.
What are the key properties of 3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[4-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 336.14 g/mol, XLogP of 5.22, 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-chloro-3-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19068732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).