pyridine

C45H45N9 — CID 67755510

IUPACpyridine
SMILESc1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/9C5H5N/c9*1-2-4-6-5-3-1/h9*1-5H
InChIKeyYCXUZPIQRQOEHS-UHFFFAOYSA-N
MW711.92 g/mol
LogP9.73
Rot. Bonds

About pyridine

pyridine (PubChem CID 67755510) has the molecular formula C45H45N9 and a molecular weight of 711.92 g/mol. Its IUPAC name is pyridine.

Molecular Properties

Compound Namepyridine
PubChem CID67755510
Molecular FormulaC45H45N9
Molecular Weight711.92 g/mol
Exact Mass711.38
IUPAC Namepyridine
SMILESc1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/9C5H5N/c9*1-2-4-6-5-3-1/h9*1-5H
InChIKeyYCXUZPIQRQOEHS-UHFFFAOYSA-N
XLogP9.73
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.92
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1,5-diazecine
CID 53440348
pyridine
CID 160878650
pyridine;titanium
CID 87570870
cobalt(2+);bis(pyridine)
CID 71357223
cadmium(2+);pyridine;chloride
CID 21144711
pyrazine;bis(pyridine)
CID 159366306
iridium(3+);tris(pyridine)
CID 22020171
chromium;bis(pyridine)
CID 14201778
bis(pyridine);hydrochloride
CID 68793121
CID 70045472
CID 70045472
pyridine bromide
CID 19422742
bis(pyridine);trihydroiodide
CID 175714675

Frequently Asked Questions

What is the IUPAC name of pyridine?
The IUPAC name of pyridine (CID 67755510) is pyridine.
What is the SMILES notation for pyridine?
The canonical SMILES for pyridine is c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of pyridine?
The InChIKey is YCXUZPIQRQOEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/9C5H5N/c9*1-2-4-6-5-3-1/h9*1-5H.
What are the key properties of pyridine?
pyridine has a molecular weight of 711.92 g/mol, XLogP of 9.73, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine is sourced from PubChem (CID 67755510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).