5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C15H12N2 — CID 51003579

IUPAC5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC(#Cc1cnc2c(c1)CCN2)c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-5,10-11H,8-9H2,(H,16,17)
InChIKeyXKYNWQQXPNSPBP-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.45
Rot. Bonds

About 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 51003579) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID51003579
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC(#Cc1cnc2c(c1)CCN2)c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-5,10-11H,8-9H2,(H,16,17)
InChIKeyXKYNWQQXPNSPBP-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
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CID 105097
Pyridine, 2-benzylamino-, hydrochloride
CID 2830234
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
5-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridin-2-ylamine
CID 10357631
Thiourea, N-(2-phenylethyl)-N'-2-pyridinyl-
CID 799959
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340
1,2,3,4-Tetrahydro-1,8-naphthyridine
CID 13047367
Dimethyl{4-[(2-pyridylamino)methyl]phenyl}amine
CID 975588
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 51003579) is 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is C(#Cc1cnc2c(c1)CCN2)c1ccccc1.
What is the InChIKey of 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XKYNWQQXPNSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-5,10-11H,8-9H2,(H,16,17).
What are the key properties of 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 220.28 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 51003579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).