3-deuterio-1H-pyrrolo[3,2-b]pyridine

C7H6N2 — CID 171035065

IUPAC3-deuterio-1H-pyrrolo[3,2-b]pyridine
SMILES[2H]c1c[nH]c2cccnc12
InChIInChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H/i3D
InChIKeyXWIYUCRMWCHYJR-WFVSFCRTSA-N
MW119.15 g/mol
LogP1.56
Rot. Bonds

About 3-deuterio-1H-pyrrolo[3,2-b]pyridine

3-deuterio-1H-pyrrolo[3,2-b]pyridine (PubChem CID 171035065) has the molecular formula C7H6N2 and a molecular weight of 119.15 g/mol. Its IUPAC name is 3-deuterio-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-deuterio-1H-pyrrolo[3,2-b]pyridine
PubChem CID171035065
Molecular FormulaC7H6N2
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name3-deuterio-1H-pyrrolo[3,2-b]pyridine
SMILES[2H]c1c[nH]c2cccnc12
InChIInChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H/i3D
InChIKeyXWIYUCRMWCHYJR-WFVSFCRTSA-N
XLogP1.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 87410618
CID 87410618
methylphosphane;1H-pyrrolo[3,2-b]pyridine
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1H-pyrrolo[3,2-g]quinoline;dihydrobromide
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1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine
CID 160719187
iridium(3+);1,5-naphthyridine
CID 175728214
6-fluoro-1H-indole;quinoline
CID 158890456
1H-imidazo[4,5-b]pyridine;quinoxaline
CID 175558542
CID 87453078
CID 87453078
(2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-deuterio-1H-pyrrolo[3,2-b]pyridine (CID 171035065) is 3-deuterio-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-deuterio-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-deuterio-1H-pyrrolo[3,2-b]pyridine is [2H]c1c[nH]c2cccnc12.
What is the InChIKey of 3-deuterio-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is XWIYUCRMWCHYJR-WFVSFCRTSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H/i3D.
What are the key properties of 3-deuterio-1H-pyrrolo[3,2-b]pyridine?
3-deuterio-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 119.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 171035065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).