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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Related Compounds

Pyrifenox
CID 55790
2-(4'-Chlorobenzyl)pyridine
CID 78054
2-(P-Chlorostyryl)pyridine
CID 219326
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-5-phenylpyridine
CID 2762868
4-(4-Chlorostyryl)pyridine
CID 735607
2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)acetonitrile (20)
CID 56604850
2-(4-Chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 2773827
3-[Bis-(4-chloro-phenyl)-methyl]-pyridine
CID 10663041
cis-[3-(2,4-Dichloro-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 12930059
cis-[3-(4-Chloro-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 20478936
3-[Chloro-bis-(4-chloro-phenyl)-methyl]-pyridine: (Hydrochloride)
CID 22768057

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).