2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

C13H8Cl2N4O — CID 135429663

IUPAC2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H8Cl2N4O/c14-7-5-8(11(20)9(15)6-7)12-17-13(19-18-12)10-3-1-2-4-16-10/h1-6,20H,(H,17,18,19)
InChIKeyIUHKCZDDXTVMEF-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.55
Rot. Bonds2

About 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 135429663) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID135429663
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H8Cl2N4O/c14-7-5-8(11(20)9(15)6-7)12-17-13(19-18-12)10-3-1-2-4-16-10/h1-6,20H,(H,17,18,19)
InChIKeyIUHKCZDDXTVMEF-UHFFFAOYSA-N
XLogP3.55
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439982
4-fluoro-2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429485
4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429526
4-fluoro-2-[3-(3-methyl-2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429539
4-fluoro-2-[3-[5-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429570
4-chloro-2-[3-[5-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429572
4-methyl-2-[3-[5-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429576
2-[3-[5-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429578
4-fluoro-2-[3-[3-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429585
4-chloro-2-[3-[3-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429587
4-methyl-2-[3-[3-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429591

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (CID 135429663) is 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is IUHKCZDDXTVMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-7-5-8(11(20)9(15)6-7)12-17-13(19-18-12)10-3-1-2-4-16-10/h1-6,20H,(H,17,18,19).
What are the key properties of 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 307.14 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).