4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C14H12FN3O — CID 157237216

IUPAC4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNCc1ccc(-c2ccnc3c2CC(=O)N3)cc1F
InChIInChI=1S/C14H12FN3O/c15-12-5-8(1-2-9(12)7-16)10-3-4-17-14-11(10)6-13(19)18-14/h1-5H,6-7,16H2,(H,17,18,19)
InChIKeyAUTWGJROMWABBF-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.84
Rot. Bonds2

About 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 157237216) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID157237216
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNCc1ccc(-c2ccnc3c2CC(=O)N3)cc1F
InChIInChI=1S/C14H12FN3O/c15-12-5-8(1-2-9(12)7-16)10-3-4-17-14-11(10)6-13(19)18-14/h1-5H,6-7,16H2,(H,17,18,19)
InChIKeyAUTWGJROMWABBF-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-N-pyridin-2-ylbenzamide
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2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
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2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-
CID 368650
N-(pyridin-2-yl)biphenyl-4-carboxamide
CID 669449
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
2-methyl-N-(4-methylpyridin-2-yl)benzamide
CID 3363325

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 157237216) is 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is NCc1ccc(-c2ccnc3c2CC(=O)N3)cc1F.
What is the InChIKey of 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is AUTWGJROMWABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-12-5-8(1-2-9(12)7-16)10-3-4-17-14-11(10)6-13(19)18-14/h1-5H,6-7,16H2,(H,17,18,19).
What are the key properties of 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 257.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 157237216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).