4-fluoro-3-methyl-2H-indazole-6-carbonitrile

C9H6FN3 — CID 172582021

IUPAC4-fluoro-3-methyl-2H-indazole-6-carbonitrile
SMILESCc1[nH]nc2cc(C#N)cc(F)c12
InChIInChI=1S/C9H6FN3/c1-5-9-7(10)2-6(4-11)3-8(9)13-12-5/h2-3H,1H3,(H,12,13)
InChIKeyPOPPXYMXJKQRCD-UHFFFAOYSA-N
MW175.17 g/mol
LogP1.88
Rot. Bonds

About 4-fluoro-3-methyl-2H-indazole-6-carbonitrile

4-fluoro-3-methyl-2H-indazole-6-carbonitrile (PubChem CID 172582021) has the molecular formula C9H6FN3 and a molecular weight of 175.17 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2H-indazole-6-carbonitrile.

Molecular Properties

Compound Name4-fluoro-3-methyl-2H-indazole-6-carbonitrile
PubChem CID172582021
Molecular FormulaC9H6FN3
Molecular Weight175.17 g/mol
Exact Mass175.05
IUPAC Name4-fluoro-3-methyl-2H-indazole-6-carbonitrile
SMILESCc1[nH]nc2cc(C#N)cc(F)c12
InChIInChI=1S/C9H6FN3/c1-5-9-7(10)2-6(4-11)3-8(9)13-12-5/h2-3H,1H3,(H,12,13)
InChIKeyPOPPXYMXJKQRCD-UHFFFAOYSA-N
XLogP1.88
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-fluoro-3-methyl-2H-indazole
CID 89425145
4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole
CID 164894380
4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole
CID 168513895
5-fluoro-3-methyl-2H-indazole-6-carbonitrile
CID 172582230
6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
CID 176567059
N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259196
4-tert-butylsulfanyl-3,5-difluorobenzonitrile
CID 81283930
3,5-difluoro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 81283858
4-fluoro-1H-indazole-6-carbonitrile
CID 53399325
4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 75393131
5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 22337711
4-chloro-3,5-difluorobenzonitrile
CID 19612372

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2H-indazole-6-carbonitrile?
The IUPAC name of 4-fluoro-3-methyl-2H-indazole-6-carbonitrile (CID 172582021) is 4-fluoro-3-methyl-2H-indazole-6-carbonitrile.
What is the SMILES notation for 4-fluoro-3-methyl-2H-indazole-6-carbonitrile?
The canonical SMILES for 4-fluoro-3-methyl-2H-indazole-6-carbonitrile is Cc1[nH]nc2cc(C#N)cc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-2H-indazole-6-carbonitrile?
The InChIKey is POPPXYMXJKQRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3/c1-5-9-7(10)2-6(4-11)3-8(9)13-12-5/h2-3H,1H3,(H,12,13).
What are the key properties of 4-fluoro-3-methyl-2H-indazole-6-carbonitrile?
4-fluoro-3-methyl-2H-indazole-6-carbonitrile has a molecular weight of 175.17 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2H-indazole-6-carbonitrile is sourced from PubChem (CID 172582021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).