1-methyl-2H-pyridine

C6H9N — CID 12565502

IUPAC1-methyl-2H-pyridine
SMILESCN1C=CC=CC1
InChIInChI=1S/C6H9N/c1-7-5-3-2-4-6-7/h2-5H,6H2,1H3
InChIKeyHZONRRHNQILCNO-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.00
Rot. Bonds

About 1-methyl-2H-pyridine

1-methyl-2H-pyridine (PubChem CID 12565502) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 1-methyl-2H-pyridine.

Molecular Properties

Compound Name1-methyl-2H-pyridine
PubChem CID12565502
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name1-methyl-2H-pyridine
SMILESCN1C=CC=CC1
InChIInChI=1S/C6H9N/c1-7-5-3-2-4-6-7/h2-5H,6H2,1H3
InChIKeyHZONRRHNQILCNO-UHFFFAOYSA-N
XLogP1.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyridine?
The IUPAC name of 1-methyl-2H-pyridine (CID 12565502) is 1-methyl-2H-pyridine.
What is the SMILES notation for 1-methyl-2H-pyridine?
The canonical SMILES for 1-methyl-2H-pyridine is CN1C=CC=CC1.
What is the InChIKey of 1-methyl-2H-pyridine?
The InChIKey is HZONRRHNQILCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-7-5-3-2-4-6-7/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-2H-pyridine?
1-methyl-2H-pyridine has a molecular weight of 95.14 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyridine is sourced from PubChem (CID 12565502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).