(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate

C9H9N3O2 — CID 175391117

IUPAC(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
SMILESCc1ccc2[nH]cc(OC(N)=O)c2n1
InChIInChI=1S/C9H9N3O2/c1-5-2-3-6-8(12-5)7(4-11-6)14-9(10)13/h2-4,11H,1H3,(H2,10,13)
InChIKeyXBTTUSCJTZIBTA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.33
Rot. Bonds1

About (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate

(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate (PubChem CID 175391117) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate.

Molecular Properties

Compound Name(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
PubChem CID175391117
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
SMILESCc1ccc2[nH]cc(OC(N)=O)c2n1
InChIInChI=1S/C9H9N3O2/c1-5-2-3-6-8(12-5)7(4-11-6)14-9(10)13/h2-4,11H,1H3,(H2,10,13)
InChIKeyXBTTUSCJTZIBTA-UHFFFAOYSA-N
XLogP1.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate?
The IUPAC name of (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate (CID 175391117) is (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate.
What is the SMILES notation for (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate?
The canonical SMILES for (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate is Cc1ccc2[nH]cc(OC(N)=O)c2n1.
What is the InChIKey of (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate?
The InChIKey is XBTTUSCJTZIBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-2-3-6-8(12-5)7(4-11-6)14-9(10)13/h2-4,11H,1H3,(H2,10,13).
What are the key properties of (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate?
(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate has a molecular weight of 191.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate is sourced from PubChem (CID 175391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).