5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine

C15H11ClN2 — CID 166842378

IUPAC5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C15H11ClN2/c1-2-10-8-17-15-14(10)7-12(9-18-15)11-3-5-13(16)6-4-11/h2-9H,1H2,(H,17,18)
InChIKeyLCHAQQDOIDHXIH-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.53
Rot. Bonds2

About 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine

5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166842378) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID166842378
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C15H11ClN2/c1-2-10-8-17-15-14(10)7-12(9-18-15)11-3-5-13(16)6-4-11/h2-9H,1H2,(H,17,18)
InChIKeyLCHAQQDOIDHXIH-UHFFFAOYSA-N
XLogP4.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 166900073
3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 153394403
(E)-3-[5-[4-[(1S)-1-hydroxyethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267555
(E)-2-methyl-3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enenitrile
CID 122705616
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
(E)-3-[5-(3,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705584
5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 10086910
(3-amino-2-chloro-6-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 68750642
5-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 144894319
5-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 118264192
3-[5-[4-(3,5-difluorobenzoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 123880284
4-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxypropyl)benzamide
CID 123843608

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine (CID 166842378) is 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine is C=Cc1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LCHAQQDOIDHXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c1-2-10-8-17-15-14(10)7-12(9-18-15)11-3-5-13(16)6-4-11/h2-9H,1H2,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine?
5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 254.72 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166842378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).