2-(5-chloropyrimidin-4-yl)quinoline

C13H8ClN3 — CID 105371578

IUPAC2-(5-chloropyrimidin-4-yl)quinoline
SMILESClc1cncnc1-c1ccc2ccccc2n1
InChIInChI=1S/C13H8ClN3/c14-10-7-15-8-16-13(10)12-6-5-9-3-1-2-4-11(9)17-12/h1-8H
InChIKeyHKLKZKLXZZMBDN-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 2-(5-chloropyrimidin-4-yl)quinoline

2-(5-chloropyrimidin-4-yl)quinoline (PubChem CID 105371578) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name2-(5-chloropyrimidin-4-yl)quinoline
PubChem CID105371578
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name2-(5-chloropyrimidin-4-yl)quinoline
SMILESClc1cncnc1-c1ccc2ccccc2n1
InChIInChI=1S/C13H8ClN3/c14-10-7-15-8-16-13(10)12-6-5-9-3-1-2-4-11(9)17-12/h1-8H
InChIKeyHKLKZKLXZZMBDN-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
2-(4-chloropyrimidin-2-yl)quinoline
CID 63222790
5-quinolin-2-ylpyrimidin-2-amine
CID 112694944
2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline
CID 175793823
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
iridium;tris(2-phenylquinoline)
CID 122129463
phenanthrene;quinazoline
CID 175352249
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
dichloroplatinum;2-phenylquinoline
CID 175341425
2-quinolin-2-ylquinoline-3-carbonyl chloride
CID 175755817
4-quinolin-2-yl-1,2,5-oxadiazol-3-amine
CID 12536668
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-4-yl)quinoline?
The IUPAC name of 2-(5-chloropyrimidin-4-yl)quinoline (CID 105371578) is 2-(5-chloropyrimidin-4-yl)quinoline.
What is the SMILES notation for 2-(5-chloropyrimidin-4-yl)quinoline?
The canonical SMILES for 2-(5-chloropyrimidin-4-yl)quinoline is Clc1cncnc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-(5-chloropyrimidin-4-yl)quinoline?
The InChIKey is HKLKZKLXZZMBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-10-7-15-8-16-13(10)12-6-5-9-3-1-2-4-11(9)17-12/h1-8H.
What are the key properties of 2-(5-chloropyrimidin-4-yl)quinoline?
2-(5-chloropyrimidin-4-yl)quinoline has a molecular weight of 241.68 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-4-yl)quinoline is sourced from PubChem (CID 105371578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).