3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine

C14H11N3 — CID 53392944

IUPAC3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine
SMILESC(=C/c1c[nH]c2ccncc12)\c1cccnc1
InChIInChI=1S/C14H11N3/c1-2-11(8-15-6-1)3-4-12-9-17-14-5-7-16-10-13(12)14/h1-10,17H/b4-3+
InChIKeyVCHIGYDMJYURNY-ONEGZZNKSA-N
MW221.26 g/mol
LogP3.13
Rot. Bonds2

About 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine

3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53392944) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine
PubChem CID53392944
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine
SMILESC(=C/c1c[nH]c2ccncc12)\c1cccnc1
InChIInChI=1S/C14H11N3/c1-2-11(8-15-6-1)3-4-12-9-17-14-5-7-16-10-13(12)14/h1-10,17H/b4-3+
InChIKeyVCHIGYDMJYURNY-ONEGZZNKSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine (CID 53392944) is 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine is C(=C/c1c[nH]c2ccncc12)\c1cccnc1.
What is the InChIKey of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is VCHIGYDMJYURNY-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-11(8-15-6-1)3-4-12-9-17-14-5-7-16-10-13(12)14/h1-10,17H/b4-3+.
What are the key properties of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine?
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 221.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53392944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).