3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine

C10H10ClN5 — CID 121183771

IUPAC3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine
SMILESClc1cccnc1N1CC(n2ccnn2)C1
InChIInChI=1S/C10H10ClN5/c11-9-2-1-3-12-10(9)15-6-8(7-15)16-5-4-13-14-16/h1-5,8H,6-7H2
InChIKeyWWNSBNRHVQPQGH-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.39
Rot. Bonds2

About 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine

3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine (PubChem CID 121183771) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine
PubChem CID121183771
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine
SMILESClc1cccnc1N1CC(n2ccnn2)C1
InChIInChI=1S/C10H10ClN5/c11-9-2-1-3-12-10(9)15-6-8(7-15)16-5-4-13-14-16/h1-5,8H,6-7H2
InChIKeyWWNSBNRHVQPQGH-UHFFFAOYSA-N
XLogP1.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(1H-pyrazol-1-yl)pyridine
CID 63811476
1-(3,5-dichloropyridin-2-yl)-1H-pyrazol-4-amine
CID 61175443
(1-{1-[1-(3-chloropyridin-2-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}-1-methylethyl)amine
CID 46985168
N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 71864686
5-chloro-2-(1H-pyrrol-1-yl)pyridine
CID 1503282
1-(3-Chloropyridin-2-yl)pyrrolidin-3-amine
CID 23369525
6-(4-chloro-1H-pyrazol-1-yl)pyridin-3-amine
CID 19627824
6-(4-chloro-1H-pyrazol-1-yl)pyridin-3-amine hydrochloride
CID 90484266
1-(3-chloropyridin-2-yl)-1H-pyrazol-4-amine hydrochloride
CID 138987615
2-(1H-1,2,3-triazol-1-yl)pyridine
CID 18794864
3-Chloro-2-(1H-pyrazol-1-yl)pyridine
CID 44604117
3-chloro-2-(1H-pyrrol-1-yl)pyridine
CID 58762084

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine (CID 121183771) is 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine is Clc1cccnc1N1CC(n2ccnn2)C1.
What is the InChIKey of 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
The InChIKey is WWNSBNRHVQPQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c11-9-2-1-3-12-10(9)15-6-8(7-15)16-5-4-13-14-16/h1-5,8H,6-7H2.
What are the key properties of 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine?
3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine has a molecular weight of 235.68 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine is sourced from PubChem (CID 121183771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).