1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol

C10H13N3O — CID 55271278

IUPAC1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
SMILESCC(O)C(N)c1c[nH]c2ncccc12
InChIInChI=1S/C10H13N3O/c1-6(14)9(11)8-5-13-10-7(8)3-2-4-12-10/h2-6,9,14H,11H2,1H3,(H,12,13)
InChIKeyVPDICQXHKZYSRZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.94
Rot. Bonds2

About 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol

1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol (PubChem CID 55271278) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
PubChem CID55271278
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
SMILESCC(O)C(N)c1c[nH]c2ncccc12
InChIInChI=1S/C10H13N3O/c1-6(14)9(11)8-5-13-10-7(8)3-2-4-12-10/h2-6,9,14H,11H2,1H3,(H,12,13)
InChIKeyVPDICQXHKZYSRZ-UHFFFAOYSA-N
XLogP0.94
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
CID 103789032
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
CID 55273004
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
(1S,2S)-1-amino-1-(2-fluoro-3-pyridinyl)propan-2-ol
CID 55292775
N-(2-methoxyethyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 115705603
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58087596
pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 64866594

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol (CID 55271278) is 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol is CC(O)C(N)c1c[nH]c2ncccc12.
What is the InChIKey of 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
The InChIKey is VPDICQXHKZYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(14)9(11)8-5-13-10-7(8)3-2-4-12-10/h2-6,9,14H,11H2,1H3,(H,12,13).
What are the key properties of 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol has a molecular weight of 191.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol is sourced from PubChem (CID 55271278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).