4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine

C13H9ClN4 — CID 3736424

IUPAC4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESClc1ccc(-n2ncnc2-c2ccncc2)cc1
InChIInChI=1S/C13H9ClN4/c14-11-1-3-12(4-2-11)18-13(16-9-17-18)10-5-7-15-8-6-10/h1-9H
InChIKeyVMNMHVIDCDKYQX-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine

4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 3736424) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID3736424
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESClc1ccc(-n2ncnc2-c2ccncc2)cc1
InChIInChI=1S/C13H9ClN4/c14-11-1-3-12(4-2-11)18-13(16-9-17-18)10-5-7-15-8-6-10/h1-9H
InChIKeyVMNMHVIDCDKYQX-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
CID 40516054
1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 870002
5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole
CID 13171070
4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 30032776
4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 31196224
2-[2-[4-(5-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]ethynyl]quinoline
CID 71611771
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930
4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine
CID 67734802
1-tert-butyl-5-(4-chlorophenyl)-1,2,4-triazole
CID 155096322
1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24938561
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
2-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]acetic acid
CID 84700384

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine (CID 3736424) is 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine is Clc1ccc(-n2ncnc2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is VMNMHVIDCDKYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-11-1-3-12(4-2-11)18-13(16-9-17-18)10-5-7-15-8-6-10/h1-9H.
What are the key properties of 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 3736424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).