4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C12H8ClN3 — CID 156781483

IUPAC4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1c(-c2cccnc2)cnc2[nH]ccc12
InChIInChI=1S/C12H8ClN3/c13-11-9-3-5-15-12(9)16-7-10(11)8-2-1-4-14-6-8/h1-7H,(H,15,16)
InChIKeyNSHOOWHHFWDFES-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

About 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 156781483) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID156781483
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1c(-c2cccnc2)cnc2[nH]ccc12
InChIInChI=1S/C12H8ClN3/c13-11-9-3-5-15-12(9)16-7-10(11)8-2-1-4-14-6-8/h1-7H,(H,15,16)
InChIKeyNSHOOWHHFWDFES-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 156781518
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
ethyl 2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazole-5-carboxylate
CID 155254119
4-chloro-5-(2-pyrimidin-2-ylethynyl)-1H-pyrrolo[2,3-b]pyridine
CID 156786304
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
CID 137438341
5-chloro-3-pyridin-3-yl-1H-pyridin-2-one
CID 46315316
2-chloro-5-pyridin-3-ylpyrazine
CID 130802155
[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
CID 162759362
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 156781483) is 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is Clc1c(-c2cccnc2)cnc2[nH]ccc12.
What is the InChIKey of 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NSHOOWHHFWDFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-11-9-3-5-15-12(9)16-7-10(11)8-2-1-4-14-6-8/h1-7H,(H,15,16).
What are the key properties of 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 156781483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).