3-methyl-2-(pyrrol-1-ylmethyl)pyridine

C11H12N2 — CID 63306746

IUPAC3-methyl-2-(pyrrol-1-ylmethyl)pyridine
SMILESCc1cccnc1Cn1cccc1
InChIInChI=1S/C11H12N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h2-8H,9H2,1H3
InChIKeyLSAIFDLMAUICBW-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.24
Rot. Bonds2

About 3-methyl-2-(pyrrol-1-ylmethyl)pyridine

3-methyl-2-(pyrrol-1-ylmethyl)pyridine (PubChem CID 63306746) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-methyl-2-(pyrrol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-methyl-2-(pyrrol-1-ylmethyl)pyridine
PubChem CID63306746
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3-methyl-2-(pyrrol-1-ylmethyl)pyridine
SMILESCc1cccnc1Cn1cccc1
InChIInChI=1S/C11H12N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h2-8H,9H2,1H3
InChIKeyLSAIFDLMAUICBW-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18185591
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3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
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2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 112651076
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
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6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole
CID 116621884
azane;2-butyl-3-methylpyridine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrrol-1-ylmethyl)pyridine?
The IUPAC name of 3-methyl-2-(pyrrol-1-ylmethyl)pyridine (CID 63306746) is 3-methyl-2-(pyrrol-1-ylmethyl)pyridine.
What is the SMILES notation for 3-methyl-2-(pyrrol-1-ylmethyl)pyridine?
The canonical SMILES for 3-methyl-2-(pyrrol-1-ylmethyl)pyridine is Cc1cccnc1Cn1cccc1.
What is the InChIKey of 3-methyl-2-(pyrrol-1-ylmethyl)pyridine?
The InChIKey is LSAIFDLMAUICBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h2-8H,9H2,1H3.
What are the key properties of 3-methyl-2-(pyrrol-1-ylmethyl)pyridine?
3-methyl-2-(pyrrol-1-ylmethyl)pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrrol-1-ylmethyl)pyridine is sourced from PubChem (CID 63306746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).