5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine

C20H15FN2 — CID 118562635

IUPAC5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)c1
InChIInChI=1S/C20H15FN2/c1-13-4-2-6-15(8-13)19-12-23-20-18(19)10-16(11-22-20)14-5-3-7-17(21)9-14/h2-12H,1H3,(H,22,23)
InChIKeyCMMBBKWXMVJUCF-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.34
Rot. Bonds2

About 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine

5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118562635) has the molecular formula C20H15FN2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118562635
Molecular FormulaC20H15FN2
Molecular Weight302.35 g/mol
Exact Mass302.12
IUPAC Name5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)c1
InChIInChI=1S/C20H15FN2/c1-13-4-2-6-15(8-13)19-12-23-20-18(19)10-16(11-22-20)14-5-3-7-17(21)9-14/h2-12H,1H3,(H,22,23)
InChIKeyCMMBBKWXMVJUCF-UHFFFAOYSA-N
XLogP5.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 155540633
3-(3,5-difluoro-2-methoxyphenyl)-5-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 146342625
5-[3-chloro-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 175663929
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
3-[3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 118709553
2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 11515031
N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71013623

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 118562635) is 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CMMBBKWXMVJUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2/c1-13-4-2-6-15(8-13)19-12-23-20-18(19)10-16(11-22-20)14-5-3-7-17(21)9-14/h2-12H,1H3,(H,22,23).
What are the key properties of 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 302.35 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118562635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).