1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile

C10H6BrN3 — CID 114652110

IUPAC1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ccc(Br)cn1
InChIInChI=1S/C10H6BrN3/c11-8-3-4-10(13-7-8)14-5-1-2-9(14)6-12/h1-5,7H
InChIKeyWZXHJTJOCBXDID-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.51
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile

1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile (PubChem CID 114652110) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile
PubChem CID114652110
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ccc(Br)cn1
InChIInChI=1S/C10H6BrN3/c11-8-3-4-10(13-7-8)14-5-1-2-9(14)6-12/h1-5,7H
InChIKeyWZXHJTJOCBXDID-UHFFFAOYSA-N
XLogP2.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile (CID 114652110) is 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile?
The InChIKey is WZXHJTJOCBXDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-8-3-4-10(13-7-8)14-5-1-2-9(14)6-12/h1-5,7H.
What are the key properties of 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile?
1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile has a molecular weight of 248.08 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114652110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).