6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole

C20H14ClFN2 — CID 163234729

IUPAC6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
SMILESCc1cc(-c2n[nH]c3cc(-c4cccc(Cl)c4)ccc23)ccc1F
InChIInChI=1S/C20H14ClFN2/c1-12-9-15(6-8-18(12)22)20-17-7-5-14(11-19(17)23-24-20)13-3-2-4-16(21)10-13/h2-11H,1H3,(H,23,24)
InChIKeyNOTOGDQFYYSMHE-UHFFFAOYSA-N
MW336.80 g/mol
LogP6.00
Rot. Bonds2

About 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole

6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole (PubChem CID 163234729) has the molecular formula C20H14ClFN2 and a molecular weight of 336.80 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
PubChem CID163234729
Molecular FormulaC20H14ClFN2
Molecular Weight336.80 g/mol
Exact Mass336.08
IUPAC Name6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
SMILESCc1cc(-c2n[nH]c3cc(-c4cccc(Cl)c4)ccc23)ccc1F
InChIInChI=1S/C20H14ClFN2/c1-12-9-15(6-8-18(12)22)20-17-7-5-14(11-19(17)23-24-20)13-3-2-4-16(21)10-13/h2-11H,1H3,(H,23,24)
InChIKeyNOTOGDQFYYSMHE-UHFFFAOYSA-N
XLogP6.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.80
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 82073034
3-(3-chlorophenyl)-1H-indazol-6-amine
CID 39218524
3-(3-chlorophenyl)-6-(2-fluorophenoxy)-1H-indazole
CID 11186810
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole
CID 163234517
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218901
5-chloro-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82298915
6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
CID 71694716
4-(6-chloro-1H-indazol-3-yl)benzaldehyde
CID 155424829
4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol
CID 166627727

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole?
The IUPAC name of 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole (CID 163234729) is 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole.
What is the SMILES notation for 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole?
The canonical SMILES for 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole is Cc1cc(-c2n[nH]c3cc(-c4cccc(Cl)c4)ccc23)ccc1F.
What is the InChIKey of 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole?
The InChIKey is NOTOGDQFYYSMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2/c1-12-9-15(6-8-18(12)22)20-17-7-5-14(11-19(17)23-24-20)13-3-2-4-16(21)10-13/h2-11H,1H3,(H,23,24).
What are the key properties of 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole?
6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole has a molecular weight of 336.80 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole is sourced from PubChem (CID 163234729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).