5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine

C14H12N2O — CID 18003303

IUPAC5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3c(c2)CC=N3)c1
InChIInChI=1S/C14H12N2O/c1-17-13-4-2-3-10(8-13)12-7-11-5-6-15-14(11)16-9-12/h2-4,6-9H,5H2,1H3
InChIKeyXNKGXKPRDGCGEO-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.02
Rot. Bonds2

About 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine

5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine (PubChem CID 18003303) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine
PubChem CID18003303
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3c(c2)CC=N3)c1
InChIInChI=1S/C14H12N2O/c1-17-13-4-2-3-10(8-13)12-7-11-5-6-15-14(11)16-9-12/h2-4,6-9H,5H2,1H3
InChIKeyXNKGXKPRDGCGEO-UHFFFAOYSA-N
XLogP3.02
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrilamine
CID 4992
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
Pyrilamine hydrochloride
CID 80139
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
Pyributicarb
CID 93486
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
(3-Pyridylmethylene)indane 26a
CID 6539776
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine (CID 18003303) is 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine is COc1cccc(-c2cnc3c(c2)CC=N3)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is XNKGXKPRDGCGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-13-4-2-3-10(8-13)12-7-11-5-6-15-14(11)16-9-12/h2-4,6-9H,5H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine?
5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 224.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 18003303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).