3,5-dichloro-4-(1-phenylethyl)pyridine

C13H11Cl2N — CID 171475417

IUPAC3,5-dichloro-4-(1-phenylethyl)pyridine
SMILESCC(c1ccccc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C13H11Cl2N/c1-9(10-5-3-2-4-6-10)13-11(14)7-16-8-12(13)15/h2-9H,1H3
InChIKeyCBNDOGHREFTITL-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.54
Rot. Bonds2

About 3,5-dichloro-4-(1-phenylethyl)pyridine

3,5-dichloro-4-(1-phenylethyl)pyridine (PubChem CID 171475417) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 3,5-dichloro-4-(1-phenylethyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-(1-phenylethyl)pyridine
PubChem CID171475417
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name3,5-dichloro-4-(1-phenylethyl)pyridine
SMILESCC(c1ccccc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C13H11Cl2N/c1-9(10-5-3-2-4-6-10)13-11(14)7-16-8-12(13)15/h2-9H,1H3
InChIKeyCBNDOGHREFTITL-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
cumene;ethane;1-phenylethylbenzene
CID 158118082
(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
CID 130667466
ethane;methane;1-phenylethylbenzene
CID 143105414
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1-phenylethyl)pyridine?
The IUPAC name of 3,5-dichloro-4-(1-phenylethyl)pyridine (CID 171475417) is 3,5-dichloro-4-(1-phenylethyl)pyridine.
What is the SMILES notation for 3,5-dichloro-4-(1-phenylethyl)pyridine?
The canonical SMILES for 3,5-dichloro-4-(1-phenylethyl)pyridine is CC(c1ccccc1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-4-(1-phenylethyl)pyridine?
The InChIKey is CBNDOGHREFTITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c1-9(10-5-3-2-4-6-10)13-11(14)7-16-8-12(13)15/h2-9H,1H3.
What are the key properties of 3,5-dichloro-4-(1-phenylethyl)pyridine?
3,5-dichloro-4-(1-phenylethyl)pyridine has a molecular weight of 252.14 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1-phenylethyl)pyridine is sourced from PubChem (CID 171475417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).