5,7-difluoro-1-methylindol-6-amine

C9H8F2N2 — CID 117274554

IUPAC5,7-difluoro-1-methylindol-6-amine
SMILESCn1ccc2cc(F)c(N)c(F)c21
InChIInChI=1S/C9H8F2N2/c1-13-3-2-5-4-6(10)8(12)7(11)9(5)13/h2-4H,12H2,1H3
InChIKeySGCUFMNIFVXFSY-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.04
Rot. Bonds

About 5,7-difluoro-1-methylindol-6-amine

5,7-difluoro-1-methylindol-6-amine (PubChem CID 117274554) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 5,7-difluoro-1-methylindol-6-amine.

Molecular Properties

Compound Name5,7-difluoro-1-methylindol-6-amine
PubChem CID117274554
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name5,7-difluoro-1-methylindol-6-amine
SMILESCn1ccc2cc(F)c(N)c(F)c21
InChIInChI=1S/C9H8F2N2/c1-13-3-2-5-4-6(10)8(12)7(11)9(5)13/h2-4H,12H2,1H3
InChIKeySGCUFMNIFVXFSY-UHFFFAOYSA-N
XLogP2.04
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-6-fluoro-1,5-dimethylindole
CID 129149052
5-fluoro-1-methylindole-7-carbonitrile
CID 146382896
3-fluoro-1-methylpyrrol-2-amine
CID 98752474
6-bromo-1-methylindol-7-amine
CID 117110630
3-(5-amino-1-methylindol-7-yl)propan-1-ol
CID 141402978
5-amino-1-methylindole-7-carboxylic acid
CID 83483770
7-cyclopropyl-1-methylindol-5-amine
CID 90152637
4,6-difluoro-1,7-dimethylindole
CID 129149035
5-fluoro-6-isocyano-1-methylindole
CID 170653117
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
CID 115003362
methyl 7-amino-1-methylindole-5-carboxylate
CID 118394722
7,8-difluoro-2-methylisoquinolin-1-one
CID 176688064

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-methylindol-6-amine?
The IUPAC name of 5,7-difluoro-1-methylindol-6-amine (CID 117274554) is 5,7-difluoro-1-methylindol-6-amine.
What is the SMILES notation for 5,7-difluoro-1-methylindol-6-amine?
The canonical SMILES for 5,7-difluoro-1-methylindol-6-amine is Cn1ccc2cc(F)c(N)c(F)c21.
What is the InChIKey of 5,7-difluoro-1-methylindol-6-amine?
The InChIKey is SGCUFMNIFVXFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-13-3-2-5-4-6(10)8(12)7(11)9(5)13/h2-4H,12H2,1H3.
What are the key properties of 5,7-difluoro-1-methylindol-6-amine?
5,7-difluoro-1-methylindol-6-amine has a molecular weight of 182.17 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-methylindol-6-amine is sourced from PubChem (CID 117274554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).