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

C10H13N3 — CID 130927222

IUPAC(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
SMILESC[C@@H](CN)c1ccc2[nH]ccc2n1
InChIInChI=1S/C10H13N3/c1-7(6-11)8-2-3-9-10(13-8)4-5-12-9/h2-5,7,12H,6,11H2,1H3/t7-/m0/s1
InChIKeyIWWJJVVEODKQOL-ZETCQYMHSA-N
MW175.24 g/mol
LogP1.63
Rot. Bonds2

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

(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine (PubChem CID 130927222) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
PubChem CID130927222
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
SMILESC[C@@H](CN)c1ccc2[nH]ccc2n1
InChIInChI=1S/C10H13N3/c1-7(6-11)8-2-3-9-10(13-8)4-5-12-9/h2-5,7,12H,6,11H2,1H3/t7-/m0/s1
InChIKeyIWWJJVVEODKQOL-ZETCQYMHSA-N
XLogP1.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine?
The IUPAC name of (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine (CID 130927222) is (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine?
The canonical SMILES for (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine is C[C@@H](CN)c1ccc2[nH]ccc2n1.
What is the InChIKey of (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine?
The InChIKey is IWWJJVVEODKQOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3/c1-7(6-11)8-2-3-9-10(13-8)4-5-12-9/h2-5,7,12H,6,11H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine?
(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine has a molecular weight of 175.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine is sourced from PubChem (CID 130927222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).