4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine

C13H9Cl2N3 — CID 172634697

IUPAC4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESClc1cc2c(ccn2Cc2ccccn2)c(Cl)n1
InChIInChI=1S/C13H9Cl2N3/c14-12-7-11-10(13(15)17-12)4-6-18(11)8-9-3-1-2-5-16-9/h1-7H,8H2
InChIKeyGZCFGCXDNUZZDZ-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.79
Rot. Bonds2

About 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine

4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine (PubChem CID 172634697) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine
PubChem CID172634697
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESClc1cc2c(ccn2Cc2ccccn2)c(Cl)n1
InChIInChI=1S/C13H9Cl2N3/c14-12-7-11-10(13(15)17-12)4-6-18(11)8-9-3-1-2-5-16-9/h1-7H,8H2
InChIKeyGZCFGCXDNUZZDZ-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine (CID 172634697) is 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine is Clc1cc2c(ccn2Cc2ccccn2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is GZCFGCXDNUZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-12-7-11-10(13(15)17-12)4-6-18(11)8-9-3-1-2-5-16-9/h1-7H,8H2.
What are the key properties of 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 278.14 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 172634697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).