3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine

C14H11Cl2F2N — CID 175294603

IUPAC3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine
SMILESCC(F)(F)c1cc(Cc2cncc(Cl)c2)ccc1Cl
InChIInChI=1S/C14H11Cl2F2N/c1-14(17,18)12-6-9(2-3-13(12)16)4-10-5-11(15)8-19-7-10/h2-3,5-8H,4H2,1H3
InChIKeyKPIVUWVEFGNWHA-UHFFFAOYSA-N
MW302.15 g/mol
LogP5.09
Rot. Bonds3

About 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine

3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine (PubChem CID 175294603) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine
PubChem CID175294603
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine
SMILESCC(F)(F)c1cc(Cc2cncc(Cl)c2)ccc1Cl
InChIInChI=1S/C14H11Cl2F2N/c1-14(17,18)12-6-9(2-3-13(12)16)4-10-5-11(15)8-19-7-10/h2-3,5-8H,4H2,1H3
InChIKeyKPIVUWVEFGNWHA-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.15
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine?
The IUPAC name of 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine (CID 175294603) is 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine?
The canonical SMILES for 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine is CC(F)(F)c1cc(Cc2cncc(Cl)c2)ccc1Cl.
What is the InChIKey of 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine?
The InChIKey is KPIVUWVEFGNWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-14(17,18)12-6-9(2-3-13(12)16)4-10-5-11(15)8-19-7-10/h2-3,5-8H,4H2,1H3.
What are the key properties of 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine?
3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine has a molecular weight of 302.15 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 175294603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).