6-bromo-5-(difluoromethoxy)-1H-indole

C9H6BrF2NO — CID 134449042

IUPAC6-bromo-5-(difluoromethoxy)-1H-indole
SMILESFC(F)Oc1cc2cc[nH]c2cc1Br
InChIInChI=1S/C9H6BrF2NO/c10-6-4-7-5(1-2-13-7)3-8(6)14-9(11)12/h1-4,9,13H
InChIKeySMNMZVDTYVWRPN-UHFFFAOYSA-N
MW262.05 g/mol
LogP3.53
Rot. Bonds2

About 6-bromo-5-(difluoromethoxy)-1H-indole

6-bromo-5-(difluoromethoxy)-1H-indole (PubChem CID 134449042) has the molecular formula C9H6BrF2NO and a molecular weight of 262.05 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethoxy)-1H-indole.

Molecular Properties

Compound Name6-bromo-5-(difluoromethoxy)-1H-indole
PubChem CID134449042
Molecular FormulaC9H6BrF2NO
Molecular Weight262.05 g/mol
Exact Mass260.96
IUPAC Name6-bromo-5-(difluoromethoxy)-1H-indole
SMILESFC(F)Oc1cc2cc[nH]c2cc1Br
InChIInChI=1S/C9H6BrF2NO/c10-6-4-7-5(1-2-13-7)3-8(6)14-9(11)12/h1-4,9,13H
InChIKeySMNMZVDTYVWRPN-UHFFFAOYSA-N
XLogP3.53
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
2,3-bis(difluoromethoxy)naphthalene
CID 119020355
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855
2-(6-bromo-1H-indol-5-yl)ethanamine
CID 82388495
5-bromo-4-(difluoromethoxy)-2-iodoaniline
CID 131323570
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444992
1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene
CID 118824768
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
[4-bromo-3-(difluoromethoxy)phenyl]hydrazine
CID 130849725
2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
CID 102909269
(E)-2-[6-bromo-5-(difluoromethoxy)-1H-indole-2-carbonyl]-3-(methylamino)prop-2-enenitrile
CID 145211730

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethoxy)-1H-indole?
The IUPAC name of 6-bromo-5-(difluoromethoxy)-1H-indole (CID 134449042) is 6-bromo-5-(difluoromethoxy)-1H-indole.
What is the SMILES notation for 6-bromo-5-(difluoromethoxy)-1H-indole?
The canonical SMILES for 6-bromo-5-(difluoromethoxy)-1H-indole is FC(F)Oc1cc2cc[nH]c2cc1Br.
What is the InChIKey of 6-bromo-5-(difluoromethoxy)-1H-indole?
The InChIKey is SMNMZVDTYVWRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2NO/c10-6-4-7-5(1-2-13-7)3-8(6)14-9(11)12/h1-4,9,13H.
What are the key properties of 6-bromo-5-(difluoromethoxy)-1H-indole?
6-bromo-5-(difluoromethoxy)-1H-indole has a molecular weight of 262.05 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethoxy)-1H-indole is sourced from PubChem (CID 134449042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).