2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol

C14H10Cl2N4O — CID 135429666

IUPAC2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cccnc1-c1nc(-c2cc(Cl)cc(Cl)c2O)n[nH]1
InChIInChI=1S/C14H10Cl2N4O/c1-7-3-2-4-17-11(7)14-18-13(19-20-14)9-5-8(15)6-10(16)12(9)21/h2-6,21H,1H3,(H,18,19,20)
InChIKeyLJCQMEHJJWGQRK-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.85
Rot. Bonds2

About 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol

2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135429666) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135429666
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cccnc1-c1nc(-c2cc(Cl)cc(Cl)c2O)n[nH]1
InChIInChI=1S/C14H10Cl2N4O/c1-7-3-2-4-17-11(7)14-18-13(19-20-14)9-5-8(15)6-10(16)12(9)21/h2-6,21H,1H3,(H,18,19,20)
InChIKeyLJCQMEHJJWGQRK-UHFFFAOYSA-N
XLogP3.85
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.85
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-[3-(4-chloro-2-methylphenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 4730474
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439982
2-[(E)-[6-amino-7-ethyl-4-(ethylamino)-1H-pyrazolo[3,4-b]pyridin-7-ium-3-yl]iminomethyl]-4,6-dichloro-phenol
CID 135502271
2-[(E)-[6-amino-7-ethyl-4-(ethylamino)-2H-pyrazolo[3,4-b]pyridin-7-ium-3-yl]iminomethyl]-4,6-dichlorophenol chloride
CID 135502270
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (CID 135429666) is 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is Cc1cccnc1-c1nc(-c2cc(Cl)cc(Cl)c2O)n[nH]1.
What is the InChIKey of 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is LJCQMEHJJWGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c1-7-3-2-4-17-11(7)14-18-13(19-20-14)9-5-8(15)6-10(16)12(9)21/h2-6,21H,1H3,(H,18,19,20).
What are the key properties of 2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
2,4-dichloro-6-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 321.17 g/mol, XLogP of 3.85, 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-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).