3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine

C10H12FN3 — CID 84772719

IUPAC3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine
SMILESNCCCc1cc2cc(F)cnc2[nH]1
InChIInChI=1S/C10H12FN3/c11-8-4-7-5-9(2-1-3-12)14-10(7)13-6-8/h4-6H,1-3,12H2,(H,13,14)
InChIKeyJSDWMFJQLDIJOE-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.59
Rot. Bonds3

About 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine

3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine (PubChem CID 84772719) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine
PubChem CID84772719
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine
SMILESNCCCc1cc2cc(F)cnc2[nH]1
InChIInChI=1S/C10H12FN3/c11-8-4-7-5-9(2-1-3-12)14-10(7)13-6-8/h4-6H,1-3,12H2,(H,13,14)
InChIKeyJSDWMFJQLDIJOE-UHFFFAOYSA-N
XLogP1.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one
CID 84772261
2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 135080609
3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine
CID 170564796
2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid
CID 84780407
6-(3-aminopropyl)-3-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 58354101
3-(6-fluoroquinolin-8-yl)propan-1-amine
CID 82576719
3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine
CID 82463512
3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine
CID 83859576
3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463546
3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine
CID 83868222
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
CID 84658193

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine (CID 84772719) is 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine is NCCCc1cc2cc(F)cnc2[nH]1.
What is the InChIKey of 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine?
The InChIKey is JSDWMFJQLDIJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c11-8-4-7-5-9(2-1-3-12)14-10(7)13-6-8/h4-6H,1-3,12H2,(H,13,14).
What are the key properties of 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine?
3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine has a molecular weight of 193.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine is sourced from PubChem (CID 84772719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).