(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile

C10H5BrFNO — CID 175573984

IUPAC(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile
SMILESN#C[C@]1(F)Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C10H5BrFNO/c11-7-1-2-8-6(3-7)4-10(12,5-13)9(8)14/h1-3H,4H2/t10-/m1/s1
InChIKeyPKPKDHPXNVIGOG-SNVBAGLBSA-N
MW254.06 g/mol
LogP2.42
Rot. Bonds

About (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile

(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile (PubChem CID 175573984) has the molecular formula C10H5BrFNO and a molecular weight of 254.06 g/mol. Its IUPAC name is (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile.

Molecular Properties

Compound Name(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile
PubChem CID175573984
Molecular FormulaC10H5BrFNO
Molecular Weight254.06 g/mol
Exact Mass252.95
IUPAC Name(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile
SMILESN#C[C@]1(F)Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C10H5BrFNO/c11-7-1-2-8-6(3-7)4-10(12,5-13)9(8)14/h1-3H,4H2/t10-/m1/s1
InChIKeyPKPKDHPXNVIGOG-SNVBAGLBSA-N
XLogP2.42
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
CID 155929540
5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one
CID 23584321
(2S)-5-bromospiro[3H-indene-2,3'-oxolane]-1,2'-dione
CID 56642761
(2R)-6-bromo-N-(4-tert-butylphenyl)-2-cyano-3-oxo-1H-indene-2-carboxamide
CID 177491876
methyl (2S)-6-bromo-2-[(2S)-6-bromo-2-methoxycarbonyl-3-oxo-1H-inden-2-yl]-3-oxo-1H-indene-2-carboxylate
CID 164686557
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63630629
(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
CID 16754305
5-bromo-2,3-dihydroinden-1-one
CID 161015201
5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione
CID 132511016
1-(4-bromo-2-pyridinyl)-3-oxocyclobutane-1-carbonitrile
CID 135564382
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235
benzyl 6-bromo-2-chloro-3-oxo-1H-indene-2-carboxylate
CID 134844255

Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile?
The IUPAC name of (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile (CID 175573984) is (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile.
What is the SMILES notation for (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile?
The canonical SMILES for (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile is N#C[C@]1(F)Cc2cc(Br)ccc2C1=O.
What is the InChIKey of (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile?
The InChIKey is PKPKDHPXNVIGOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H5BrFNO/c11-7-1-2-8-6(3-7)4-10(12,5-13)9(8)14/h1-3H,4H2/t10-/m1/s1.
What are the key properties of (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile?
(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile has a molecular weight of 254.06 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile is sourced from PubChem (CID 175573984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).