3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine

C12H12ClN3O — CID 154819013

IUPAC3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine
SMILESClc1cnccc1-c1nccn1C1CCOC1
InChIInChI=1S/C12H12ClN3O/c13-11-7-14-3-1-10(11)12-15-4-5-16(12)9-2-6-17-8-9/h1,3-5,7,9H,2,6,8H2
InChIKeyLMSSDTMAOUJCGD-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.56
Rot. Bonds2

About 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine

3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine (PubChem CID 154819013) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine
PubChem CID154819013
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine
SMILESClc1cnccc1-c1nccn1C1CCOC1
InChIInChI=1S/C12H12ClN3O/c13-11-7-14-3-1-10(11)12-15-4-5-16(12)9-2-6-17-8-9/h1,3-5,7,9H,2,6,8H2
InChIKeyLMSSDTMAOUJCGD-UHFFFAOYSA-N
XLogP2.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine?
The IUPAC name of 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine (CID 154819013) is 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine is Clc1cnccc1-c1nccn1C1CCOC1.
What is the InChIKey of 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine?
The InChIKey is LMSSDTMAOUJCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-7-14-3-1-10(11)12-15-4-5-16(12)9-2-6-17-8-9/h1,3-5,7,9H,2,6,8H2.
What are the key properties of 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine?
3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine has a molecular weight of 249.70 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine is sourced from PubChem (CID 154819013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).