6-chloro-5-(fluoromethyl)-1H-indazole

C8H6ClFN2 — CID 177150099

IUPAC6-chloro-5-(fluoromethyl)-1H-indazole
SMILESFCc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C8H6ClFN2/c9-7-2-8-6(4-11-12-8)1-5(7)3-10/h1-2,4H,3H2,(H,11,12)
InChIKeyGIEMNBKHABDJON-UHFFFAOYSA-N
MW184.60 g/mol
LogP2.69
Rot. Bonds1

About 6-chloro-5-(fluoromethyl)-1H-indazole

6-chloro-5-(fluoromethyl)-1H-indazole (PubChem CID 177150099) has the molecular formula C8H6ClFN2 and a molecular weight of 184.60 g/mol. Its IUPAC name is 6-chloro-5-(fluoromethyl)-1H-indazole.

Molecular Properties

Compound Name6-chloro-5-(fluoromethyl)-1H-indazole
PubChem CID177150099
Molecular FormulaC8H6ClFN2
Molecular Weight184.60 g/mol
Exact Mass184.02
IUPAC Name6-chloro-5-(fluoromethyl)-1H-indazole
SMILESFCc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C8H6ClFN2/c9-7-2-8-6(4-11-12-8)1-5(7)3-10/h1-2,4H,3H2,(H,11,12)
InChIKeyGIEMNBKHABDJON-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-chloro-1H-indazol-5-yl)methanamine
CID 117109495
3-(6-chloro-1H-indazol-5-yl)propan-1-ol
CID 177150216
5,6-diethyl-1H-indazole
CID 123175477
(6-fluoro-1H-indazol-5-yl)methanol
CID 76846377
2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158850062
6-chloro-1H-indazole-5-carboxylic acid
CID 117110166
5-chloro-6-(difluoromethoxy)-1H-indazole
CID 171662371
3-(6-fluoro-1H-indazol-5-yl)propan-1-amine
CID 83878310
(5-ethyl-1H-indazol-6-yl)boronic acid
CID 175075501
5-fluoro-6-propyl-1H-indazole
CID 91027618
6-fluoro-5-iodo-1H-indazole
CID 70970480
3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol
CID 155381577

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(fluoromethyl)-1H-indazole?
The IUPAC name of 6-chloro-5-(fluoromethyl)-1H-indazole (CID 177150099) is 6-chloro-5-(fluoromethyl)-1H-indazole.
What is the SMILES notation for 6-chloro-5-(fluoromethyl)-1H-indazole?
The canonical SMILES for 6-chloro-5-(fluoromethyl)-1H-indazole is FCc1cc2cn[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-(fluoromethyl)-1H-indazole?
The InChIKey is GIEMNBKHABDJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2/c9-7-2-8-6(4-11-12-8)1-5(7)3-10/h1-2,4H,3H2,(H,11,12).
What are the key properties of 6-chloro-5-(fluoromethyl)-1H-indazole?
6-chloro-5-(fluoromethyl)-1H-indazole has a molecular weight of 184.60 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(fluoromethyl)-1H-indazole is sourced from PubChem (CID 177150099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).