2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole

C11H9ClN4 — CID 155675906

IUPAC2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole
SMILESClc1nccc(N2Cc3ccccc3N2)n1
InChIInChI=1S/C11H9ClN4/c12-11-13-6-5-10(14-11)16-7-8-3-1-2-4-9(8)15-16/h1-6,15H,7H2
InChIKeyYKZOGJJINRONHV-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.48
Rot. Bonds1

About 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole

2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole (PubChem CID 155675906) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole
PubChem CID155675906
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole
SMILESClc1nccc(N2Cc3ccccc3N2)n1
InChIInChI=1S/C11H9ClN4/c12-11-13-6-5-10(14-11)16-7-8-3-1-2-4-9(8)15-16/h1-6,15H,7H2
InChIKeyYKZOGJJINRONHV-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol
CID 166764047
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine
CID 22288415
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451
3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
CID 132608317
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
CID 58979572

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole (CID 155675906) is 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole is Clc1nccc(N2Cc3ccccc3N2)n1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole?
The InChIKey is YKZOGJJINRONHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-11-13-6-5-10(14-11)16-7-8-3-1-2-4-9(8)15-16/h1-6,15H,7H2.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole?
2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole has a molecular weight of 232.67 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-1,3-dihydroindazole is sourced from PubChem (CID 155675906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).