2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide

C20H15FN2O2S — CID 123990566

IUPAC2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide
SMILESCc1cnc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2.O=S=O
InChIInChI=1S/C20H15FN2.O2S/c1-13-10-16-11-19(23-20(16)22-12-13)15-8-6-14(7-9-15)17-4-2-3-5-18(17)21;1-3-2/h2-10,12H,11H2,1H3;
InChIKeyNRUSMWNTZAALEJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.20
Rot. Bonds2

About 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide

2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide (PubChem CID 123990566) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide
PubChem CID123990566
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide
SMILESCc1cnc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2.O=S=O
InChIInChI=1S/C20H15FN2.O2S/c1-13-10-16-11-19(23-20(16)22-12-13)15-8-6-14(7-9-15)17-4-2-3-5-18(17)21;1-3-2/h2-10,12H,11H2,1H3;
InChIKeyNRUSMWNTZAALEJ-UHFFFAOYSA-N
XLogP4.20
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3H-pyrrolo[2,3-b]pyridin-5-amine
CID 125490764
2-fluoro-3-(2-fluorophenyl)-5-methylpyridine
CID 46312592
1,4-bis(2-fluorophenyl)benzene
CID 58121760
3-(4-methylsulfanylphenyl)-4H-isoquinolin-1-one
CID 69181531
3-(2-fluorophenyl)-5-methylpyridin-2-amine
CID 46311847
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(2-fluoro-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-7-methyl-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one
CID 158295914
2-(2-fluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 83918520
5-(2-fluorophenyl)-2-methoxy-3-methylpyridine
CID 46312944
1-[5-(2-fluorophenyl)-2-pyridinyl]cyclopropan-1-amine
CID 141105175
3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
CID 162037501

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide (CID 123990566) is 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide is Cc1cnc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2.O=S=O.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide?
The InChIKey is NRUSMWNTZAALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2.O2S/c1-13-10-16-11-19(23-20(16)22-12-13)15-8-6-14(7-9-15)17-4-2-3-5-18(17)21;1-3-2/h2-10,12H,11H2,1H3;.
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide?
2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide has a molecular weight of 366.42 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-5-methyl-3H-pyrrolo[2,3-b]pyridine;sulfur dioxide is sourced from PubChem (CID 123990566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).