4-(2-pyridin-4-ylethyl)pyridine;hydrochloride

C12H13ClN2 — CID 18530302

IUPAC4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
SMILESCl.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C12H12N2.ClH/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;/h3-10H,1-2H2;1H
InChIKeyWMPPXBGCEZSCIA-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.68
Rot. Bonds3

About 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride

4-(2-pyridin-4-ylethyl)pyridine;hydrochloride (PubChem CID 18530302) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
PubChem CID18530302
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
SMILESCl.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C12H12N2.ClH/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;/h3-10H,1-2H2;1H
InChIKeyWMPPXBGCEZSCIA-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
CID 58825419
2-pyridin-4-ylethylarsane
CID 173253111
trimethyl(2-pyridin-4-ylethyl)germane;hydrochloride
CID 3063301
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine
CID 174750839
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride?
The IUPAC name of 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride (CID 18530302) is 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride?
The canonical SMILES for 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride is Cl.c1cc(CCc2ccncc2)ccn1.
What is the InChIKey of 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride?
The InChIKey is WMPPXBGCEZSCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.ClH/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;/h3-10H,1-2H2;1H.
What are the key properties of 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride?
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethyl)pyridine;hydrochloride is sourced from PubChem (CID 18530302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).