5-chloro-4H-pyridine

C5H4ClN — CID 152753444

IUPAC5-chloro-4H-pyridine
SMILESClC1=C=NC=CC1
InChIInChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1,3H,2H2
InChIKeyIIDNPONSSRGIST-UHFFFAOYSA-N
MW113.55 g/mol
LogP1.70
Rot. Bonds

About 5-chloro-4H-pyridine

5-chloro-4H-pyridine (PubChem CID 152753444) has the molecular formula C5H4ClN and a molecular weight of 113.55 g/mol. Its IUPAC name is 5-chloro-4H-pyridine.

Molecular Properties

Compound Name5-chloro-4H-pyridine
PubChem CID152753444
Molecular FormulaC5H4ClN
Molecular Weight113.55 g/mol
Exact Mass113.00
IUPAC Name5-chloro-4H-pyridine
SMILESClC1=C=NC=CC1
InChIInChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1,3H,2H2
InChIKeyIIDNPONSSRGIST-UHFFFAOYSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.55
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4H-pyridine?
The IUPAC name of 5-chloro-4H-pyridine (CID 152753444) is 5-chloro-4H-pyridine.
What is the SMILES notation for 5-chloro-4H-pyridine?
The canonical SMILES for 5-chloro-4H-pyridine is ClC1=C=NC=CC1.
What is the InChIKey of 5-chloro-4H-pyridine?
The InChIKey is IIDNPONSSRGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1,3H,2H2.
What are the key properties of 5-chloro-4H-pyridine?
5-chloro-4H-pyridine has a molecular weight of 113.55 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4H-pyridine is sourced from PubChem (CID 152753444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).