5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid

C17H16F2N2O2 — CID 66907523

IUPAC5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid
SMILESCCC(=O)O.Fc1cccc(Cn2ccc3cc(F)cnc32)c1
InChIInChI=1S/C14H10F2N2.C3H6O2/c15-12-3-1-2-10(6-12)9-18-5-4-11-7-13(16)8-17-14(11)18;1-2-3(4)5/h1-8H,9H2;2H2,1H3,(H,4,5)
InChIKeyZKHXRUSNVIZCCW-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.84
Rot. Bonds3

About 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid

5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid (PubChem CID 66907523) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid.

Molecular Properties

Compound Name5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid
PubChem CID66907523
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid
SMILESCCC(=O)O.Fc1cccc(Cn2ccc3cc(F)cnc32)c1
InChIInChI=1S/C14H10F2N2.C3H6O2/c15-12-3-1-2-10(6-12)9-18-5-4-11-7-13(16)8-17-14(11)18;1-2-3(4)5/h1-8H,9H2;2H2,1H3,(H,4,5)
InChIKeyZKHXRUSNVIZCCW-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propanoic acid;1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 66907795
methyl 4-[[5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate
CID 118148340
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide
CID 87266104
ethyl 1-[(3-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421652
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
1-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)pyrrole-3-carboxylic acid
CID 84756268
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
CID 165343915
2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
CID 84780075
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
3-bromo-1-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
CID 22051025
N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164329

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid?
The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid (CID 66907523) is 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid.
What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid?
The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid is CCC(=O)O.Fc1cccc(Cn2ccc3cc(F)cnc32)c1.
What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid?
The InChIKey is ZKHXRUSNVIZCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2.C3H6O2/c15-12-3-1-2-10(6-12)9-18-5-4-11-7-13(16)8-17-14(11)18;1-2-3(4)5/h1-8H,9H2;2H2,1H3,(H,4,5).
What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid?
5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid has a molecular weight of 318.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid is sourced from PubChem (CID 66907523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).