6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole

C14H11F2N3 — CID 171533505

IUPAC6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole
SMILESCc1nn(-c2ccc(F)nc2)c2c(C)c(F)ccc12
InChIInChI=1S/C14H11F2N3/c1-8-12(15)5-4-11-9(2)18-19(14(8)11)10-3-6-13(16)17-7-10/h3-7H,1-2H3
InChIKeyXGNWKDDWIJBYHR-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.32
Rot. Bonds1

About 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole

6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole (PubChem CID 171533505) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole.

Molecular Properties

Compound Name6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole
PubChem CID171533505
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole
SMILESCc1nn(-c2ccc(F)nc2)c2c(C)c(F)ccc12
InChIInChI=1S/C14H11F2N3/c1-8-12(15)5-4-11-9(2)18-19(14(8)11)10-3-6-13(16)17-7-10/h3-7H,1-2H3
InChIKeyXGNWKDDWIJBYHR-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,7-difluoro-4-[6-fluoro-1-(6-fluoro-3-pyridinyl)-7-methylindazol-3-yl]-2-methylindazole
CID 171533674
1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole
CID 166055048
2-fluoro-5-methylpyridine
CID 2774635
4-bromo-1-(6-fluoro-3-pyridinyl)indazole
CID 66687367
7-ethyl-1-(6-fluoro-3-pyridinyl)-3-(2-methylindazol-4-yl)indazole
CID 166055011
1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol
CID 162734813
5-(2-chloroethyl)-1-(4-chlorophenyl)-6-(6-fluoro-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 162720131
tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane
CID 58926474
CID 178017616
CID 178017616
6-fluoro-1,7-dimethylindazole
CID 83381543
2-fluoro-5-pyrazol-1-ylpyridine
CID 141212781
2-fluoro-5-(triazol-1-yl)pyridine
CID 58128556

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole?
The IUPAC name of 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole (CID 171533505) is 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole.
What is the SMILES notation for 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole?
The canonical SMILES for 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole is Cc1nn(-c2ccc(F)nc2)c2c(C)c(F)ccc12.
What is the InChIKey of 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole?
The InChIKey is XGNWKDDWIJBYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-8-12(15)5-4-11-9(2)18-19(14(8)11)10-3-6-13(16)17-7-10/h3-7H,1-2H3.
What are the key properties of 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole?
6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole has a molecular weight of 259.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole is sourced from PubChem (CID 171533505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).