1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid

C9H9N3O2 — CID 174209450

IUPAC1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cc2ncccc2[nH]1
InChIInChI=1S/C9H9N3O2/c13-9(14)11-5-6-4-8-7(12-6)2-1-3-10-8/h1-4,11-12H,5H2,(H,13,14)
InChIKeyLHWWQYAQPGBTGT-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.33
Rot. Bonds2

About 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid

1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid (PubChem CID 174209450) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid.

Molecular Properties

Compound Name1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid
PubChem CID174209450
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cc2ncccc2[nH]1
InChIInChI=1S/C9H9N3O2/c13-9(14)11-5-6-4-8-7(12-6)2-1-3-10-8/h1-4,11-12H,5H2,(H,13,14)
InChIKeyLHWWQYAQPGBTGT-UHFFFAOYSA-N
XLogP1.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-ylmethylcarbamic acid
CID 68691362
sodium (1S,2R,3S,4R)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 154876542
N-hydroxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 87356821
4-(1H-pyrrolo[3,2-b]pyridin-2-yl)butanenitrile
CID 16757321
1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid
CID 172829313
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176580356
[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
CID 68918958
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
3-phenyl-1H-1,5-naphthyridin-2-one
CID 12992200
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid?
The IUPAC name of 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid (CID 174209450) is 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid.
What is the SMILES notation for 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid?
The canonical SMILES for 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid is O=C(O)NCc1cc2ncccc2[nH]1.
What is the InChIKey of 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid?
The InChIKey is LHWWQYAQPGBTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-9(14)11-5-6-4-8-7(12-6)2-1-3-10-8/h1-4,11-12H,5H2,(H,13,14).
What are the key properties of 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid?
1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid has a molecular weight of 191.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid is sourced from PubChem (CID 174209450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).