2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine

C11H10Cl2N4O — CID 155709996

IUPAC2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine
SMILESClc1cc(C2(Cc3ncn[nH]3)COC2)cc(Cl)n1
InChIInChI=1S/C11H10Cl2N4O/c12-8-1-7(2-9(13)16-8)11(4-18-5-11)3-10-14-6-15-17-10/h1-2,6H,3-5H2,(H,14,15,17)
InChIKeyMLXDXCFOVXDPPT-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.02
Rot. Bonds3

About 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine

2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine (PubChem CID 155709996) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine
PubChem CID155709996
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine
SMILESClc1cc(C2(Cc3ncn[nH]3)COC2)cc(Cl)n1
InChIInChI=1S/C11H10Cl2N4O/c12-8-1-7(2-9(13)16-8)11(4-18-5-11)3-10-14-6-15-17-10/h1-2,6H,3-5H2,(H,14,15,17)
InChIKeyMLXDXCFOVXDPPT-UHFFFAOYSA-N
XLogP2.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine
CID 58503770
6-chloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]-N-(oxetan-3-yl)pyridin-2-amine
CID 155190623
2-Chloro-6-cyclopropyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine
CID 155190803
6-chloro-N-ethyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
CID 155190811
2,6-Dichloro-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridine
CID 155190822
2-chloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine
CID 155710003
[1-(2,6-Dichloro-4-pyridinyl)cyclobutyl]-(4-methyl-1,2,4-triazol-3-yl)methanol
CID 164869247
2,6-Dichloro-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridine
CID 168262533
6-chloro-N-ethyl-4-[6-(4-methyl-1,2,4-triazol-3-yl)-2-oxaspiro[3.3]heptan-6-yl]pyridin-2-amine
CID 168262725
3-(2,6-Dichloro-4-pyridinyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 168262883
2,6-Dichloro-4-[6-(4-methyl-1,2,4-triazol-3-yl)-2-oxaspiro[3.3]heptan-6-yl]pyridine
CID 168263039
6-chloro-N-(2-methyl-2-methylsulfanylpropyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
CID 169179380

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine?
The IUPAC name of 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine (CID 155709996) is 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine.
What is the SMILES notation for 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine?
The canonical SMILES for 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine is Clc1cc(C2(Cc3ncn[nH]3)COC2)cc(Cl)n1.
What is the InChIKey of 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine?
The InChIKey is MLXDXCFOVXDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-8-1-7(2-9(13)16-8)11(4-18-5-11)3-10-14-6-15-17-10/h1-2,6H,3-5H2,(H,14,15,17).
What are the key properties of 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine?
2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine has a molecular weight of 285.13 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[3-(1H-1,2,4-triazol-5-ylmethyl)oxetan-3-yl]pyridine is sourced from PubChem (CID 155709996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).