(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine

C9H11N3O — CID 84655944

IUPAC(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCOc1ccnc2[nH]cc(CN)c12
InChIInChI=1S/C9H11N3O/c1-13-7-2-3-11-9-8(7)6(4-10)5-12-9/h2-3,5H,4,10H2,1H3,(H,11,12)
InChIKeyDSEURPYDKWDNCQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.03
Rot. Bonds2

About (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine

(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine (PubChem CID 84655944) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
PubChem CID84655944
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCOc1ccnc2[nH]cc(CN)c12
InChIInChI=1S/C9H11N3O/c1-13-7-2-3-11-9-8(7)6(4-10)5-12-9/h2-3,5H,4,10H2,1H3,(H,11,12)
InChIKeyDSEURPYDKWDNCQ-UHFFFAOYSA-N
XLogP1.03
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
The IUPAC name of (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine (CID 84655944) is (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine.
What is the SMILES notation for (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
The canonical SMILES for (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine is COc1ccnc2[nH]cc(CN)c12.
What is the InChIKey of (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
The InChIKey is DSEURPYDKWDNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-13-7-2-3-11-9-8(7)6(4-10)5-12-9/h2-3,5H,4,10H2,1H3,(H,11,12).
What are the key properties of (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine is sourced from PubChem (CID 84655944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).