6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine

C13H9ClN2 — CID 133087909

IUPAC6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(-c2ccccc2)c2cc[nH]c2n1
InChIInChI=1S/C13H9ClN2/c14-12-8-11(9-4-2-1-3-5-9)10-6-7-15-13(10)16-12/h1-8H,(H,15,16)
InChIKeyWTEZDMJXXUWONO-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine

6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 133087909) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID133087909
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(-c2ccccc2)c2cc[nH]c2n1
InChIInChI=1S/C13H9ClN2/c14-12-8-11(9-4-2-1-3-5-9)10-6-7-15-13(10)16-12/h1-8H,(H,15,16)
InChIKeyWTEZDMJXXUWONO-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-7H-pyrrolo[2,3-c]pyridazine
CID 51033832
8-bromo-2-chloro-4-phenylquinoline
CID 43322933
2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
CID 156809469
2,6-dichloro-3-methyl-4-phenylpyridine
CID 15154293
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 140914955
6-chloro-N-(2-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;ethane
CID 143775051
4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid
CID 56911743
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 173127712
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 70719891

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 133087909) is 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine is Clc1cc(-c2ccccc2)c2cc[nH]c2n1.
What is the InChIKey of 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WTEZDMJXXUWONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-12-8-11(9-4-2-1-3-5-9)10-6-7-15-13(10)16-12/h1-8H,(H,15,16).
What are the key properties of 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 133087909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).