2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile

C11H8BrFN2 — CID 67150846

IUPAC2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile
SMILESCc1c(Br)c2cc(F)ccc2n1CC#N
InChIInChI=1S/C11H8BrFN2/c1-7-11(12)9-6-8(13)2-3-10(9)15(7)5-4-14/h2-3,6H,5H2,1H3
InChIKeyPDYJWCVHODMMRH-UHFFFAOYSA-N
MW267.10 g/mol
LogP3.37
Rot. Bonds1

About 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile

2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile (PubChem CID 67150846) has the molecular formula C11H8BrFN2 and a molecular weight of 267.10 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile
PubChem CID67150846
Molecular FormulaC11H8BrFN2
Molecular Weight267.10 g/mol
Exact Mass265.99
IUPAC Name2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile
SMILESCc1c(Br)c2cc(F)ccc2n1CC#N
InChIInChI=1S/C11H8BrFN2/c1-7-11(12)9-6-8(13)2-3-10(9)15(7)5-4-14/h2-3,6H,5H2,1H3
InChIKeyPDYJWCVHODMMRH-UHFFFAOYSA-N
XLogP3.37
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile?
The IUPAC name of 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile (CID 67150846) is 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile is Cc1c(Br)c2cc(F)ccc2n1CC#N.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile?
The InChIKey is PDYJWCVHODMMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2/c1-7-11(12)9-6-8(13)2-3-10(9)15(7)5-4-14/h2-3,6H,5H2,1H3.
What are the key properties of 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile?
2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile has a molecular weight of 267.10 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile is sourced from PubChem (CID 67150846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).