3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline

C14H11ClFN3O — CID 166543988

IUPAC3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline
SMILESCn1cc2ccc(Oc3ccc(N)c(F)c3Cl)cc2n1
InChIInChI=1S/C14H11ClFN3O/c1-19-7-8-2-3-9(6-11(8)18-19)20-12-5-4-10(17)14(16)13(12)15/h2-7H,17H2,1H3
InChIKeyRSMCXUTWXKLJEF-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.74
Rot. Bonds2

About 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline

3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline (PubChem CID 166543988) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline
PubChem CID166543988
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline
SMILESCn1cc2ccc(Oc3ccc(N)c(F)c3Cl)cc2n1
InChIInChI=1S/C14H11ClFN3O/c1-19-7-8-2-3-9(6-11(8)18-19)20-12-5-4-10(17)14(16)13(12)15/h2-7H,17H2,1H3
InChIKeyRSMCXUTWXKLJEF-UHFFFAOYSA-N
XLogP3.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(2-methylindazol-6-yl)oxyaniline
CID 166543843
6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole
CID 170992588
2-methylindazol-6-amine;dihydrochloride
CID 19354431
ethane;2-methylindazol-6-amine
CID 178017314
ethane;6-fluoro-2-methylindazole
CID 155591197
5-fluoro-2-methylindazol-6-amine
CID 117110292
6-fluoro-2-methylindazol-5-amine
CID 118626680
2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline
CID 67817650
3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
CID 103079208
3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524
6-chloro-2,5-dimethylindazole
CID 171662405
6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine
CID 166544249

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
The IUPAC name of 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline (CID 166543988) is 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline.
What is the SMILES notation for 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
The canonical SMILES for 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline is Cn1cc2ccc(Oc3ccc(N)c(F)c3Cl)cc2n1.
What is the InChIKey of 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
The InChIKey is RSMCXUTWXKLJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c1-19-7-8-2-3-9(6-11(8)18-19)20-12-5-4-10(17)14(16)13(12)15/h2-7H,17H2,1H3.
What are the key properties of 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline has a molecular weight of 291.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline is sourced from PubChem (CID 166543988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).