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

C14H11ClN4 — CID 31196224

IUPAC4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCc1c(Cl)cccc1-n1ncnc1-c1ccncc1
InChIInChI=1S/C14H11ClN4/c1-10-12(15)3-2-4-13(10)19-14(17-9-18-19)11-5-7-16-8-6-11/h2-9H,1H3
InChIKeyXGCTUDDUWSKOER-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.29
Rot. Bonds2

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

4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 31196224) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID31196224
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCc1c(Cl)cccc1-n1ncnc1-c1ccncc1
InChIInChI=1S/C14H11ClN4/c1-10-12(15)3-2-4-13(10)19-14(17-9-18-19)11-5-7-16-8-6-11/h2-9H,1H3
InChIKeyXGCTUDDUWSKOER-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole
CID 784675
4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
CID 40516054
4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 3736424
N-[2-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-N-methylmethanesulfonamide
CID 72880285
4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 46665728
4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine
CID 67734802
[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83822954
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 8911193
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol
CID 82528154
1-(3-chloro-2-methylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 94940605
5-[1-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 42888840

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine (CID 31196224) is 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine is Cc1c(Cl)cccc1-n1ncnc1-c1ccncc1.
What is the InChIKey of 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is XGCTUDDUWSKOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-10-12(15)3-2-4-13(10)19-14(17-9-18-19)11-5-7-16-8-6-11/h2-9H,1H3.
What are the key properties of 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine?
4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 270.72 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 31196224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).