5-chloro-2-pyridin-4-ylpyrimidine

C9H6ClN3 — CID 71723010

IUPAC5-chloro-2-pyridin-4-ylpyrimidine
SMILESClc1cnc(-c2ccncc2)nc1
InChIInChI=1S/C9H6ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h1-6H
InChIKeyKNGIFDSAOSAAHP-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.19
Rot. Bonds1

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

5-chloro-2-pyridin-4-ylpyrimidine (PubChem CID 71723010) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 5-chloro-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-pyridin-4-ylpyrimidine
PubChem CID71723010
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name5-chloro-2-pyridin-4-ylpyrimidine
SMILESClc1cnc(-c2ccncc2)nc1
InChIInChI=1S/C9H6ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h1-6H
InChIKeyKNGIFDSAOSAAHP-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-4-ylpyrimidine?
The IUPAC name of 5-chloro-2-pyridin-4-ylpyrimidine (CID 71723010) is 5-chloro-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 5-chloro-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 5-chloro-2-pyridin-4-ylpyrimidine is Clc1cnc(-c2ccncc2)nc1.
What is the InChIKey of 5-chloro-2-pyridin-4-ylpyrimidine?
The InChIKey is KNGIFDSAOSAAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h1-6H.
What are the key properties of 5-chloro-2-pyridin-4-ylpyrimidine?
5-chloro-2-pyridin-4-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 5-chloro-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 71723010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).