1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid

C8H7N3O2 — CID 137499260

IUPAC1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
SMILESO=C(O)Nc1cc2cc[nH]c2cn1
InChIInChI=1S/C8H7N3O2/c12-8(13)11-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H,(H,10,11)(H,12,13)
InChIKeyXZWYJYGDRVGAAB-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.65
Rot. Bonds1

About 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid

1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid (PubChem CID 137499260) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid.

Molecular Properties

Compound Name1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
PubChem CID137499260
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
SMILESO=C(O)Nc1cc2cc[nH]c2cn1
InChIInChI=1S/C8H7N3O2/c12-8(13)11-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H,(H,10,11)(H,12,13)
InChIKeyXZWYJYGDRVGAAB-UHFFFAOYSA-N
XLogP1.65
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352
[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid
CID 135263765
2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 167941639
N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 130637894
N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide
CID 118117566
N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 130667288
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 139490788
5-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53399661
CID 143215043
CID 143215043
1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride
CID 87581993
(3-ethyl-1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid
CID 174758035
1H-pyrrolo[2,3-c]pyridin-5-amine;dihydrochloride
CID 67382254

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid?
The IUPAC name of 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid (CID 137499260) is 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid.
What is the SMILES notation for 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid?
The canonical SMILES for 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid is O=C(O)Nc1cc2cc[nH]c2cn1.
What is the InChIKey of 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid?
The InChIKey is XZWYJYGDRVGAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-8(13)11-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H,(H,10,11)(H,12,13).
What are the key properties of 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid?
1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid has a molecular weight of 177.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid is sourced from PubChem (CID 137499260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).