6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine

C19H15ClN2O2 — CID 56671865

IUPAC6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)cc(Cl)nc32)cc1
InChIInChI=1S/C19H15ClN2O2/c1-23-14-6-4-13(5-7-14)12-22-9-8-15-16(17-3-2-10-24-17)11-18(20)21-19(15)22/h2-11H,12H2,1H3
InChIKeyWAHNMRZJGYPUDS-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.01
Rot. Bonds4

About 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine

6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine (PubChem CID 56671865) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
PubChem CID56671865
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)cc(Cl)nc32)cc1
InChIInChI=1S/C19H15ClN2O2/c1-23-14-6-4-13(5-7-14)12-22-9-8-15-16(17-3-2-10-24-17)11-18(20)21-19(15)22/h2-11H,12H2,1H3
InChIKeyWAHNMRZJGYPUDS-UHFFFAOYSA-N
XLogP5.01
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.01
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-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine (CID 56671865) is 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine is COc1ccc(Cn2ccc3c(-c4ccco4)cc(Cl)nc32)cc1.
What is the InChIKey of 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is WAHNMRZJGYPUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-23-14-6-4-13(5-7-14)12-22-9-8-15-16(17-3-2-10-24-17)11-18(20)21-19(15)22/h2-11H,12H2,1H3.
What are the key properties of 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 338.79 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 56671865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).