3-chloro-5-ethenyl-1-(oxan-2-yl)indazole

C14H15ClN2O — CID 176887222

IUPAC3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
SMILESC=Cc1ccc2c(c1)c(Cl)nn2C1CCCCO1
InChIInChI=1S/C14H15ClN2O/c1-2-10-6-7-12-11(9-10)14(15)16-17(12)13-5-3-4-8-18-13/h2,6-7,9,13H,1,3-5,8H2
InChIKeyMBNVFTHOSNBYEU-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.03
Rot. Bonds2

About 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole

3-chloro-5-ethenyl-1-(oxan-2-yl)indazole (PubChem CID 176887222) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
PubChem CID176887222
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
SMILESC=Cc1ccc2c(c1)c(Cl)nn2C1CCCCO1
InChIInChI=1S/C14H15ClN2O/c1-2-10-6-7-12-11(9-10)14(15)16-17(12)13-5-3-4-8-18-13/h2,6-7,9,13H,1,3-5,8H2
InChIKeyMBNVFTHOSNBYEU-UHFFFAOYSA-N
XLogP4.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-(oxan-2-yl)indazole
CID 66909910
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
3-ethenyl-6-nitro-1-(oxan-2-yl)indazole
CID 22136521
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
CID 166722465
3-[(4-fluorophenyl)methyl]-1-(oxan-2-yl)-5-[(E)-2-phenylethenyl]indazole
CID 69454397
4-[(E)-2-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethenyl]benzoic acid
CID 22480234
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480117
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole?
The IUPAC name of 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole (CID 176887222) is 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole is C=Cc1ccc2c(c1)c(Cl)nn2C1CCCCO1.
What is the InChIKey of 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole?
The InChIKey is MBNVFTHOSNBYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-10-6-7-12-11(9-10)14(15)16-17(12)13-5-3-4-8-18-13/h2,6-7,9,13H,1,3-5,8H2.
What are the key properties of 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole?
3-chloro-5-ethenyl-1-(oxan-2-yl)indazole has a molecular weight of 262.74 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethenyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 176887222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).