1-(2-chloropyrimidin-4-yl)indazole

C11H7ClN4 — CID 62343876

IUPAC1-(2-chloropyrimidin-4-yl)indazole
SMILESClc1nccc(-n2ncc3ccccc32)n1
InChIInChI=1S/C11H7ClN4/c12-11-13-6-5-10(15-11)16-9-4-2-1-3-8(9)7-14-16/h1-7H
InChIKeyXXCIUEHDGFHCTH-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.47
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)indazole

1-(2-chloropyrimidin-4-yl)indazole (PubChem CID 62343876) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)indazole.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)indazole
PubChem CID62343876
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name1-(2-chloropyrimidin-4-yl)indazole
SMILESClc1nccc(-n2ncc3ccccc32)n1
InChIInChI=1S/C11H7ClN4/c12-11-13-6-5-10(15-11)16-9-4-2-1-3-8(9)7-14-16/h1-7H
InChIKeyXXCIUEHDGFHCTH-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)indazole?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)indazole (CID 62343876) is 1-(2-chloropyrimidin-4-yl)indazole.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)indazole?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)indazole is Clc1nccc(-n2ncc3ccccc32)n1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)indazole?
The InChIKey is XXCIUEHDGFHCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-11-13-6-5-10(15-11)16-9-4-2-1-3-8(9)7-14-16/h1-7H.
What are the key properties of 1-(2-chloropyrimidin-4-yl)indazole?
1-(2-chloropyrimidin-4-yl)indazole has a molecular weight of 230.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)indazole is sourced from PubChem (CID 62343876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).