6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene

C17H14Br2ClFN2O — CID 144548383

IUPAC6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene
SMILESC/C=C/C(Br)Br.Oc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C13H8ClFN2O.C4H6Br2/c14-12-5-4-11(18)13(17-12)10-6-7-8(15)2-1-3-9(7)16-10;1-2-3-4(5)6/h1-6,16,18H;2-4H,1H3/b;3-2+
InChIKeyTZXHYALBWIVJRR-ZPYUXNTASA-N
MW476.57 g/mol
LogP6.41
Rot. Bonds2

About 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene

6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene (PubChem CID 144548383) has the molecular formula C17H14Br2ClFN2O and a molecular weight of 476.57 g/mol. Its IUPAC name is 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene.

Molecular Properties

Compound Name6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene
PubChem CID144548383
Molecular FormulaC17H14Br2ClFN2O
Molecular Weight476.57 g/mol
Exact Mass473.91
IUPAC Name6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene
SMILESC/C=C/C(Br)Br.Oc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C13H8ClFN2O.C4H6Br2/c14-12-5-4-11(18)13(17-12)10-6-7-8(15)2-1-3-9(7)16-10;1-2-3-4(5)6/h1-6,16,18H;2-4H,1H3/b;3-2+
InChIKeyTZXHYALBWIVJRR-ZPYUXNTASA-N
XLogP6.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile
CID 170993041
4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol
CID 123232281
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492
4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole
CID 130177595
4-fluoro-2-(6-methylpyrazin-2-yl)-1H-indole
CID 144766338
6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol
CID 171547938
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
4-fluoro-N-methyl-1H-indol-2-amine
CID 143863709
6-(4-fluoro-1H-indol-2-yl)-4-methyl-1H-pyridin-2-one
CID 144764054
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 86728232
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-4-amine
CID 137016959

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene?
The IUPAC name of 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene (CID 144548383) is 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene.
What is the SMILES notation for 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene?
The canonical SMILES for 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene is C/C=C/C(Br)Br.Oc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene?
The InChIKey is TZXHYALBWIVJRR-ZPYUXNTASA-N. The full InChI is InChI=1S/C13H8ClFN2O.C4H6Br2/c14-12-5-4-11(18)13(17-12)10-6-7-8(15)2-1-3-9(7)16-10;1-2-3-4(5)6/h1-6,16,18H;2-4H,1H3/b;3-2+.
What are the key properties of 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene?
6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene has a molecular weight of 476.57 g/mol, XLogP of 6.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene is sourced from PubChem (CID 144548383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).