pyridine

C95H95N19 — CID 160878650

IUPACpyridine
SMILESc1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/19C5H5N/c19*1-2-4-6-5-3-1/h19*1-5H
InChIKeySMSUPSYNBINYKF-UHFFFAOYSA-N
MW1502.94 g/mol
LogP20.55
Rot. Bonds

About pyridine

pyridine (PubChem CID 160878650) has the molecular formula C95H95N19 and a molecular weight of 1502.94 g/mol. Its IUPAC name is pyridine.

Molecular Properties

Compound Namepyridine
PubChem CID160878650
Molecular FormulaC95H95N19
Molecular Weight1502.94 g/mol
Exact Mass1501.80
IUPAC Namepyridine
SMILESc1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/19C5H5N/c19*1-2-4-6-5-3-1/h19*1-5H
InChIKeySMSUPSYNBINYKF-UHFFFAOYSA-N
XLogP20.55
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001502.94
LogP ≤ 520.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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Related Compounds

1,5-diazecine
CID 53440348
pyridine
CID 67755510
iridium(3+);tris(pyridine)
CID 22020171
chromium;bis(pyridine)
CID 14201778
bis(pyridine);hydrochloride
CID 68793121
CID 70045472
CID 70045472
pyridine bromide
CID 19422742
cobalt(2+);bis(pyridine)
CID 71357223
cadmium(2+);pyridine;chloride
CID 21144711
pyrazine;bis(pyridine)
CID 159366306
pyridine;titanium
CID 87570870
bis(pyridine);trihydroiodide
CID 175714675

Frequently Asked Questions

What is the IUPAC name of pyridine?
The IUPAC name of pyridine (CID 160878650) is pyridine.
What is the SMILES notation for pyridine?
The canonical SMILES for pyridine is c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of pyridine?
The InChIKey is SMSUPSYNBINYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/19C5H5N/c19*1-2-4-6-5-3-1/h19*1-5H.
What are the key properties of pyridine?
pyridine has a molecular weight of 1502.94 g/mol, XLogP of 20.55, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine is sourced from PubChem (CID 160878650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).