molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C8H8N2O2 — CID 156715490

IUPACmolecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccnc2[nH]1.[H][H]
InChIInChI=1S/C8H6N2O2.H2/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H
InChIKeyZXESJDYOHMQXBW-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.51
Rot. Bonds1

About molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 156715490) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Namemolecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID156715490
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Namemolecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccnc2[nH]1.[H][H]
InChIInChI=1S/C8H6N2O2.H2/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H
InChIKeyZXESJDYOHMQXBW-UHFFFAOYSA-N
XLogP1.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 122648492
7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid
CID 82415210
N-(2,6-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390705
N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390644
N-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53486940
5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 50990519
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 128709518
N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390702
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704
3-[4-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]sulfonylphenyl]propanoic acid
CID 172890589
4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 82376068
5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid
CID 122568161

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 156715490) is molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cccnc2[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ZXESJDYOHMQXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.H2/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H.
What are the key properties of molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 156715490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).