5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine

C9H7ClN4O — CID 137499733

IUPAC5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine
SMILESCOc1nc(-c2ccnnc2)ncc1Cl
InChIInChI=1S/C9H7ClN4O/c1-15-9-7(10)5-11-8(14-9)6-2-3-12-13-4-6/h2-5H,1H3
InChIKeyHCLAWFHFPASSMH-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.60
Rot. Bonds2

About 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine

5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine (PubChem CID 137499733) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine
PubChem CID137499733
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine
SMILESCOc1nc(-c2ccnnc2)ncc1Cl
InChIInChI=1S/C9H7ClN4O/c1-15-9-7(10)5-11-8(14-9)6-2-3-12-13-4-6/h2-5H,1H3
InChIKeyHCLAWFHFPASSMH-UHFFFAOYSA-N
XLogP1.60
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine?
The IUPAC name of 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine (CID 137499733) is 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine.
What is the SMILES notation for 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine?
The canonical SMILES for 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine is COc1nc(-c2ccnnc2)ncc1Cl.
What is the InChIKey of 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine?
The InChIKey is HCLAWFHFPASSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c1-15-9-7(10)5-11-8(14-9)6-2-3-12-13-4-6/h2-5H,1H3.
What are the key properties of 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine?
5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine has a molecular weight of 222.64 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-2-pyridazin-4-ylpyrimidine is sourced from PubChem (CID 137499733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).