2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine

C14H10F2N4 — CID 15957273

IUPAC2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2nc(-c3c(F)cccc3F)n[nH]2)n1
InChIInChI=1S/C14H10F2N4/c1-8-4-2-7-11(17-8)13-18-14(20-19-13)12-9(15)5-3-6-10(12)16/h2-7H,1H3,(H,18,19,20)
InChIKeyKXUXSGMXWFMQHM-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.12
Rot. Bonds2

About 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine

2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine (PubChem CID 15957273) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
PubChem CID15957273
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2nc(-c3c(F)cccc3F)n[nH]2)n1
InChIInChI=1S/C14H10F2N4/c1-8-4-2-7-11(17-8)13-18-14(20-19-13)12-9(15)5-3-6-10(12)16/h2-7H,1H3,(H,18,19,20)
InChIKeyKXUXSGMXWFMQHM-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine (CID 15957273) is 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine is Cc1cccc(-c2nc(-c3c(F)cccc3F)n[nH]2)n1.
What is the InChIKey of 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The InChIKey is KXUXSGMXWFMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c1-8-4-2-7-11(17-8)13-18-14(20-19-13)12-9(15)5-3-6-10(12)16/h2-7H,1H3,(H,18,19,20).
What are the key properties of 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine has a molecular weight of 272.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 15957273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).