3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine

C10H10N2 — CID 169444700

IUPAC3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine
SMILESCn1ccc[13c]1-[13c]1[13cH][13cH][13cH]n[13cH]1
InChIInChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3/i2+1,4+1,6+1,8+1,9+1,10+1
InChIKeyRYFOJXFXERAMLS-NXGVJODUSA-N
MW164.16 g/mol
LogP2.09
Rot. Bonds1

About 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine

3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine (PubChem CID 169444700) has the molecular formula C10H10N2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine.

Molecular Properties

Compound Name3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine
PubChem CID169444700
Molecular FormulaC10H10N2
Molecular Weight164.16 g/mol
Exact Mass164.10
IUPAC Name3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine
SMILESCn1ccc[13c]1-[13c]1[13cH][13cH][13cH]n[13cH]1
InChIInChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3/i2+1,4+1,6+1,8+1,9+1,10+1
InChIKeyRYFOJXFXERAMLS-NXGVJODUSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylpyrrol-2-yl)pyridine
CID 10249
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CID 44549702
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-(2-pyridin-4-ylpyrrol-1-yl)pyridine
CID 100914609
cyclopenta[c]azepine
CID 638010
(1-methyl-5-pyridin-3-ylimidazol-2-yl)methanamine
CID 83697482
3-(3-butylimidazol-4-yl)pyridine
CID 174388983
3-azulen-6-ylpyridine
CID 86232079
5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
CID 59684373
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
1,6-dimethyl-7-pyridin-3-ylimidazo[2,1-e]pyrazole
CID 121215215

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine?
The IUPAC name of 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine (CID 169444700) is 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine.
What is the SMILES notation for 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine?
The canonical SMILES for 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine is Cn1ccc[13c]1-[13c]1[13cH][13cH][13cH]n[13cH]1.
What is the InChIKey of 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine?
The InChIKey is RYFOJXFXERAMLS-NXGVJODUSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3/i2+1,4+1,6+1,8+1,9+1,10+1.
What are the key properties of 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine?
3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine has a molecular weight of 164.16 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine is sourced from PubChem (CID 169444700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).