4-chloro-6-phenoxypyrimidine

C10H7ClN2O — CID 11593677

IUPAC4-chloro-6-phenoxypyrimidine
SMILESClc1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C10H7ClN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKeyKHGWFZBIISKKRP-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.92
Rot. Bonds2

About 4-chloro-6-phenoxypyrimidine

4-chloro-6-phenoxypyrimidine (PubChem CID 11593677) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-chloro-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenoxypyrimidine
PubChem CID11593677
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name4-chloro-6-phenoxypyrimidine
SMILESClc1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C10H7ClN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKeyKHGWFZBIISKKRP-UHFFFAOYSA-N
XLogP2.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenoxypyrimidine?
The IUPAC name of 4-chloro-6-phenoxypyrimidine (CID 11593677) is 4-chloro-6-phenoxypyrimidine.
What is the SMILES notation for 4-chloro-6-phenoxypyrimidine?
The canonical SMILES for 4-chloro-6-phenoxypyrimidine is Clc1cc(Oc2ccccc2)ncn1.
What is the InChIKey of 4-chloro-6-phenoxypyrimidine?
The InChIKey is KHGWFZBIISKKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-chloro-6-phenoxypyrimidine?
4-chloro-6-phenoxypyrimidine has a molecular weight of 206.63 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenoxypyrimidine is sourced from PubChem (CID 11593677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).