6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine

C11H7ClN4 — CID 126698239

IUPAC6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine
SMILESClc1cc2c(ccn2-c2ncccn2)cn1
InChIInChI=1S/C11H7ClN4/c12-10-6-9-8(7-15-10)2-5-16(9)11-13-3-1-4-14-11/h1-7H
InChIKeyBWLRWOAFFIFUJJ-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.47
Rot. Bonds1

About 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine

6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine (PubChem CID 126698239) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine
PubChem CID126698239
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine
SMILESClc1cc2c(ccn2-c2ncccn2)cn1
InChIInChI=1S/C11H7ClN4/c12-10-6-9-8(7-15-10)2-5-16(9)11-13-3-1-4-14-11/h1-7H
InChIKeyBWLRWOAFFIFUJJ-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine (CID 126698239) is 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine is Clc1cc2c(ccn2-c2ncccn2)cn1.
What is the InChIKey of 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine?
The InChIKey is BWLRWOAFFIFUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-10-6-9-8(7-15-10)2-5-16(9)11-13-3-1-4-14-11/h1-7H.
What are the key properties of 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine?
6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine has a molecular weight of 230.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 126698239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).