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

C14H10Cl2N4O — CID 135429669

IUPAC2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESCn1nc(-c2ccccn2)nc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H10Cl2N4O/c1-20-14(9-6-8(15)7-10(16)12(9)21)18-13(19-20)11-4-2-3-5-17-11/h2-7,21H,1H3
InChIKeySWYMBNPOTOBOEG-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.56
Rot. Bonds2

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

2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (PubChem CID 135429669) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
PubChem CID135429669
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESCn1nc(-c2ccccn2)nc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H10Cl2N4O/c1-20-14(9-6-8(15)7-10(16)12(9)21)18-13(19-20)11-4-2-3-5-17-11/h2-7,21H,1H3
InChIKeySWYMBNPOTOBOEG-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429526
4-chloro-2-[3-[5-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429572
4-chloro-2-[3-[3-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429587
4-Fluoro-2-[2-methyl-5-(3-methyl-2-pyridyl)-1,2,4-triazol-3-yl]phenol
CID 135429652
3,5-dichloro-2-hydroxybenzaldehyde [6-(4-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl]hydrazone
CID 135536473
2-[[(6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-4,6-dichlorophenol
CID 86806865
2,4-dichloro-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 135546178
2,4-Dichloro-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136600689
4-Chloro-2-{2-phenylpyrazolo[1,5-A]pyrimidin-7-YL}phenol
CID 135939564
2,4-Dichloro-6-[(E)-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]phenol
CID 135526513
4-chloro-2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429486
4-chloro-2-[3-(1-isoquinolyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429498

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (CID 135429669) is 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is Cn1nc(-c2ccccn2)nc1-c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The InChIKey is SWYMBNPOTOBOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c1-20-14(9-6-8(15)7-10(16)12(9)21)18-13(19-20)11-4-2-3-5-17-11/h2-7,21H,1H3.
What are the key properties of 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol has a molecular weight of 321.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).