4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine

C11H10ClN3O — CID 62319942

IUPAC4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C11H10ClN3O/c1-16-7-8-6-10(12)15-11(14-8)9-4-2-3-5-13-9/h2-6H,7H2,1H3
InChIKeyLJJBEYWADUEGBJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.34
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine

4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine (PubChem CID 62319942) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
PubChem CID62319942
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C11H10ClN3O/c1-16-7-8-6-10(12)15-11(14-8)9-4-2-3-5-13-9/h2-6H,7H2,1H3
InChIKeyLJJBEYWADUEGBJ-UHFFFAOYSA-N
XLogP2.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine (CID 62319942) is 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine is COCc1cc(Cl)nc(-c2ccccn2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
The InChIKey is LJJBEYWADUEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-16-7-8-6-10(12)15-11(14-8)9-4-2-3-5-13-9/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine has a molecular weight of 235.67 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 62319942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).