pyridine

C5H5N — CID 1049

IUPACpyridine
SMILESc1ccncc1
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
InChIKeyJUJWROOIHBZHMG-UHFFFAOYSA-N
MW79.10 g/mol
LogP1.08
Rot. Bonds

About pyridine

pyridine (PubChem CID 1049) has the molecular formula C5H5N and a molecular weight of 79.10 g/mol. Its IUPAC name is pyridine.

Molecular Properties

Compound Namepyridine
PubChem CID1049
Molecular FormulaC5H5N
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Namepyridine
SMILESc1ccncc1
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
InChIKeyJUJWROOIHBZHMG-UHFFFAOYSA-N
XLogP1.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cetylpyridinium Chloride
CID 31239
4-Aminopyridine
CID 1727
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
Pralidoxime Chloride
CID 135445761
Cetylpyridinium Bromide
CID 8816
4-Vinylpyridine
CID 7502
2-Aminopyridine
CID 10439
2-Methylpyridine
CID 7975
3,4-Diaminopyridine
CID 5918
Myosmine
CID 442649
2-Vinylpyridine
CID 7521

Frequently Asked Questions

What is the IUPAC name of pyridine?
The IUPAC name of pyridine (CID 1049) is pyridine.
What is the SMILES notation for pyridine?
The canonical SMILES for pyridine is c1ccncc1.
What is the InChIKey of pyridine?
The InChIKey is JUJWROOIHBZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H.
What are the key properties of pyridine?
pyridine has a molecular weight of 79.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine is sourced from PubChem (CID 1049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).