2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol

C15H12N2OS — CID 91276882

IUPAC2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol
SMILESCc1sc(-c2ccc(-c3ccncc3)nc2)cc1O
InChIInChI=1S/C15H12N2OS/c1-10-14(18)8-15(19-10)12-2-3-13(17-9-12)11-4-6-16-7-5-11/h2-9,18H,1H3
InChIKeyDXYPOCIZFANXCE-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.89
Rot. Bonds2

About 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol

2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol (PubChem CID 91276882) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol.

Molecular Properties

Compound Name2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol
PubChem CID91276882
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol
SMILESCc1sc(-c2ccc(-c3ccncc3)nc2)cc1O
InChIInChI=1S/C15H12N2OS/c1-10-14(18)8-15(19-10)12-2-3-13(17-9-12)11-4-6-16-7-5-11/h2-9,18H,1H3
InChIKeyDXYPOCIZFANXCE-UHFFFAOYSA-N
XLogP3.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
CID 159579778
trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane
CID 169294073
5-methoxy-2-pyridin-4-ylpyridine
CID 46315979
2-methyl-5-pyridin-4-ylphenol
CID 46316792
2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
CID 139319025
5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
CID 22709467
2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 173248667
2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole
CID 91664202
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937
2-methyl-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 160549129
3,11-bis(6-pyridin-4-yl-3-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene
CID 118564710
2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol?
The IUPAC name of 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol (CID 91276882) is 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol.
What is the SMILES notation for 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol?
The canonical SMILES for 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol is Cc1sc(-c2ccc(-c3ccncc3)nc2)cc1O.
What is the InChIKey of 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol?
The InChIKey is DXYPOCIZFANXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-14(18)8-15(19-10)12-2-3-13(17-9-12)11-4-6-16-7-5-11/h2-9,18H,1H3.
What are the key properties of 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol?
2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol has a molecular weight of 268.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol is sourced from PubChem (CID 91276882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).