1-(2-phenylethyl)pyrrolo[3,2-b]pyridine

C15H14N2 — CID 67260198

IUPAC1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(CCn2ccc3ncccc32)cc1
InChIInChI=1S/C15H14N2/c1-2-5-13(6-3-1)8-11-17-12-9-14-15(17)7-4-10-16-14/h1-7,9-10,12H,8,11H2
InChIKeyIWXRVQSRXNFQCV-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.28
Rot. Bonds3

About 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine

1-(2-phenylethyl)pyrrolo[3,2-b]pyridine (PubChem CID 67260198) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
PubChem CID67260198
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(CCn2ccc3ncccc32)cc1
InChIInChI=1S/C15H14N2/c1-2-5-13(6-3-1)8-11-17-12-9-14-15(17)7-4-10-16-14/h1-7,9-10,12H,8,11H2
InChIKeyIWXRVQSRXNFQCV-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylethyl)-1,5-naphthyridin-2-one
CID 139602376
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-(2-phenylethyl)indole
CID 12601752
methanamine;1-(2-phenylethyl)indole
CID 144619116
1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
CID 139615824
8-(2-phenylethyl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110186700
[4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)phenyl]boronic acid
CID 155710915
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
1-iodopyrrolo[3,2-b]pyridine
CID 70894838
tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
CID 135080166
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine (CID 67260198) is 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine is c1ccc(CCn2ccc3ncccc32)cc1.
What is the InChIKey of 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is IWXRVQSRXNFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-5-13(6-3-1)8-11-17-12-9-14-15(17)7-4-10-16-14/h1-7,9-10,12H,8,11H2.
What are the key properties of 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine?
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 222.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67260198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).