4-chloro-5-pyridin-2-ylpyrimidine

C9H6ClN3 — CID 105371145

IUPAC4-chloro-5-pyridin-2-ylpyrimidine
SMILESClc1ncncc1-c1ccccn1
InChIInChI=1S/C9H6ClN3/c10-9-7(5-11-6-13-9)8-3-1-2-4-12-8/h1-6H
InChIKeyWWAMRXHURPENJH-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.19
Rot. Bonds1

About 4-chloro-5-pyridin-2-ylpyrimidine

4-chloro-5-pyridin-2-ylpyrimidine (PubChem CID 105371145) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 4-chloro-5-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-pyridin-2-ylpyrimidine
PubChem CID105371145
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name4-chloro-5-pyridin-2-ylpyrimidine
SMILESClc1ncncc1-c1ccccn1
InChIInChI=1S/C9H6ClN3/c10-9-7(5-11-6-13-9)8-3-1-2-4-12-8/h1-6H
InChIKeyWWAMRXHURPENJH-UHFFFAOYSA-N
XLogP2.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3-pyridin-2-ylpyridine
CID 150433968
4-bromo-3-pyridin-2-ylpyridine
CID 118988962
4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine
CID 118917067
2-(2-pyridin-2-ylphenyl)pyrazine
CID 91494990
2-chloro-4-pyridin-2-ylpyridin-3-amine
CID 82396148
ethane;4-methyl-3-pyridin-2-ylpyridine
CID 143216291
trimethyl-(3-pyridin-2-yl-4-pyridinyl)silane
CID 139787163
2-(4-methylpyrimidin-5-yl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 99962926
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-pyridin-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-pyridin-2-ylpyrimidine (CID 105371145) is 4-chloro-5-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-pyridin-2-ylpyrimidine is Clc1ncncc1-c1ccccn1.
What is the InChIKey of 4-chloro-5-pyridin-2-ylpyrimidine?
The InChIKey is WWAMRXHURPENJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-9-7(5-11-6-13-9)8-3-1-2-4-12-8/h1-6H.
What are the key properties of 4-chloro-5-pyridin-2-ylpyrimidine?
4-chloro-5-pyridin-2-ylpyrimidine has a molecular weight of 191.62 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-pyridin-2-ylpyrimidine is sourced from PubChem (CID 105371145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).