4H-pyridine

C5H5N — CID 57269531

IUPAC4H-pyridine
SMILESC1=CCC=CN=1
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h2-4H,1H2
InChIKeyNFOHQLQMDPAGTN-UHFFFAOYSA-N
MW79.10 g/mol
LogP1.13
Rot. Bonds

About 4H-pyridine

4H-pyridine (PubChem CID 57269531) has the molecular formula C5H5N and a molecular weight of 79.10 g/mol. Its IUPAC name is 4H-pyridine.

Molecular Properties

Compound Name4H-pyridine
PubChem CID57269531
Molecular FormulaC5H5N
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Name4H-pyridine
SMILESC1=CCC=CN=1
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h2-4H,1H2
InChIKeyNFOHQLQMDPAGTN-UHFFFAOYSA-N
XLogP1.13
TPSA12.36 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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-4H-pyridine
CID 152753793
4-Azacycloheptatetraene
CID 129719079
4-fluoro-4H-pyridine
CID 125460466
N-[(E)-prop-1-enyl]ethenimine
CID 57762723
2,3-Dihydropyrrol-2-ide
CID 58066797
2,3-Dihydropyrrol-2-ylium
CID 58373898
N-prop-1-enylethenimine
CID 90970450
N-penta-1,4-dienylmethanimine
CID 91199996
1-methylidene-4H-pyridin-1-ium-4-ylium
CID 136116448
N-[(Z)-prop-1-enyl]ethenimine
CID 143648655
CID 147813312
CID 147813312
5-chloro-4H-pyridine
CID 152753444

Frequently Asked Questions

What is the IUPAC name of 4H-pyridine?
The IUPAC name of 4H-pyridine (CID 57269531) is 4H-pyridine.
What is the SMILES notation for 4H-pyridine?
The canonical SMILES for 4H-pyridine is C1=CCC=CN=1.
What is the InChIKey of 4H-pyridine?
The InChIKey is NFOHQLQMDPAGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c1-2-4-6-5-3-1/h2-4H,1H2.
What are the key properties of 4H-pyridine?
4H-pyridine has a molecular weight of 79.10 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyridine is sourced from PubChem (CID 57269531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).