6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile

C10H7BrFNO — CID 170188906

IUPAC6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc2c(c(F)c1Br)C(O)CC2
InChIInChI=1S/C10H7BrFNO/c11-9-6(4-13)3-5-1-2-7(14)8(5)10(9)12/h3,7,14H,1-2H2
InChIKeyUIKKFQJIYMNCDA-UHFFFAOYSA-N
MW256.07 g/mol
LogP2.44
Rot. Bonds

About 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile

6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 170188906) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID170188906
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc2c(c(F)c1Br)C(O)CC2
InChIInChI=1S/C10H7BrFNO/c11-9-6(4-13)3-5-1-2-7(14)8(5)10(9)12/h3,7,14H,1-2H2
InChIKeyUIKKFQJIYMNCDA-UHFFFAOYSA-N
XLogP2.44
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol
CID 155978340
6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-ol
CID 61383944
(S)-4-bromo-5-trifluoromethyl-indan-1-ol
CID 86700775
4-Bromo-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 89444437
(1S)-4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 89826094
(1S)-4-bromo-7-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 89826104
(1S)-4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 89826127
(1S)-4-bromo-7-fluoro-6-(1-fluoroethenyl)-2,3-dihydro-1H-inden-1-ol
CID 89836047
6-Bromo-4-(trifluoromethyl)indan-1-ol
CID 90013465
5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol
CID 118142726
(S)-5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol
CID 118144951
(1S)-5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 122555222

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 170188906) is 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1cc2c(c(F)c1Br)C(O)CC2.
What is the InChIKey of 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is UIKKFQJIYMNCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c11-9-6(4-13)3-5-1-2-7(14)8(5)10(9)12/h3,7,14H,1-2H2.
What are the key properties of 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 256.07 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 170188906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).