1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile

C13H13N3 — CID 121495989

IUPAC1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(-c2cccnc2)c(C)n1C
InChIInChI=1S/C13H13N3/c1-9-12(7-14)13(10(2)16(9)3)11-5-4-6-15-8-11/h4-6,8H,1-3H3
InChIKeyIDNGLMLGYOBDPW-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.58
Rot. Bonds1

About 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile

1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile (PubChem CID 121495989) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile
PubChem CID121495989
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(-c2cccnc2)c(C)n1C
InChIInChI=1S/C13H13N3/c1-9-12(7-14)13(10(2)16(9)3)11-5-4-6-15-8-11/h4-6,8H,1-3H3
InChIKeyIDNGLMLGYOBDPW-UHFFFAOYSA-N
XLogP2.58
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile?
The IUPAC name of 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile (CID 121495989) is 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile.
What is the SMILES notation for 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile?
The canonical SMILES for 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile is Cc1c(C#N)c(-c2cccnc2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile?
The InChIKey is IDNGLMLGYOBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9-12(7-14)13(10(2)16(9)3)11-5-4-6-15-8-11/h4-6,8H,1-3H3.
What are the key properties of 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile?
1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile is sourced from PubChem (CID 121495989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).