methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid

C9H9N3O2 — CID 140984905

IUPACmethyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid
SMILESCN(C(=O)O)c1c[nH]c2cnccc12
InChIInChI=1S/C9H9N3O2/c1-12(9(13)14)8-5-11-7-4-10-3-2-6(7)8/h2-5,11H,1H3,(H,13,14)
InChIKeyDCODGWBXWRTVRT-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.68
Rot. Bonds1

About methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid

methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid (PubChem CID 140984905) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid.

Molecular Properties

Compound Namemethyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid
PubChem CID140984905
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid
SMILESCN(C(=O)O)c1c[nH]c2cnccc12
InChIInChI=1S/C9H9N3O2/c1-12(9(13)14)8-5-11-7-4-10-3-2-6(7)8/h2-5,11H,1H3,(H,13,14)
InChIKeyDCODGWBXWRTVRT-UHFFFAOYSA-N
XLogP1.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid?
The IUPAC name of methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid (CID 140984905) is methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid.
What is the SMILES notation for methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid?
The canonical SMILES for methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid is CN(C(=O)O)c1c[nH]c2cnccc12.
What is the InChIKey of methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid?
The InChIKey is DCODGWBXWRTVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12(9(13)14)8-5-11-7-4-10-3-2-6(7)8/h2-5,11H,1H3,(H,13,14).
What are the key properties of methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid?
methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid has a molecular weight of 191.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1H-pyrrolo[2,3-c]pyridin-3-yl)carbamic acid is sourced from PubChem (CID 140984905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).