3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile

C12H10BrN3 — CID 166970995

IUPAC3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile
SMILESN#CC1CC(n2cc(Br)c3cnccc32)C1
InChIInChI=1S/C12H10BrN3/c13-11-7-16(9-3-8(4-9)5-14)12-1-2-15-6-10(11)12/h1-2,6-9H,3-4H2
InChIKeyKISPMFOXKHQBCH-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.27
Rot. Bonds1

About 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile

3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile (PubChem CID 166970995) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile
PubChem CID166970995
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile
SMILESN#CC1CC(n2cc(Br)c3cnccc32)C1
InChIInChI=1S/C12H10BrN3/c13-11-7-16(9-3-8(4-9)5-14)12-1-2-15-6-10(11)12/h1-2,6-9H,3-4H2
InChIKeyKISPMFOXKHQBCH-UHFFFAOYSA-N
XLogP3.27
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile (CID 166970995) is 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile is N#CC1CC(n2cc(Br)c3cnccc32)C1.
What is the InChIKey of 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile?
The InChIKey is KISPMFOXKHQBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-11-7-16(9-3-8(4-9)5-14)12-1-2-15-6-10(11)12/h1-2,6-9H,3-4H2.
What are the key properties of 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile?
3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile has a molecular weight of 276.14 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopyrrolo[3,2-c]pyridin-1-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 166970995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).