3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine

C7H4Cl2N4 — CID 131020565

IUPAC3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine
SMILESClc1cnc(-n2cnnc2)c(Cl)c1
InChIInChI=1S/C7H4Cl2N4/c8-5-1-6(9)7(10-2-5)13-3-11-12-4-13/h1-4H
InChIKeyTYIZFVBUXCPWSP-UHFFFAOYSA-N
MW215.04 g/mol
LogP1.97
Rot. Bonds1

About 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine

3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 131020565) has the molecular formula C7H4Cl2N4 and a molecular weight of 215.04 g/mol. Its IUPAC name is 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID131020565
Molecular FormulaC7H4Cl2N4
Molecular Weight215.04 g/mol
Exact Mass213.98
IUPAC Name3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine
SMILESClc1cnc(-n2cnnc2)c(Cl)c1
InChIInChI=1S/C7H4Cl2N4/c8-5-1-6(9)7(10-2-5)13-3-11-12-4-13/h1-4H
InChIKeyTYIZFVBUXCPWSP-UHFFFAOYSA-N
XLogP1.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-2-pyridinyl)-5-methyltriazol-4-amine
CID 97057710
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804
ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
CID 15069644
3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine
CID 63811503
1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine
CID 61175443
CID 162106307
CID 162106307
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702386
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
CID 4822698
methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
CID 58158937

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine (CID 131020565) is 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine is Clc1cnc(-n2cnnc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is TYIZFVBUXCPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4/c8-5-1-6(9)7(10-2-5)13-3-11-12-4-13/h1-4H.
What are the key properties of 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine?
3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 215.04 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 131020565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).