(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol

C12H13NOS — CID 66272658

IUPAC(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccncc1C(O)c1sccc1C
InChIInChI=1S/C12H13NOS/c1-8-3-5-13-7-10(8)11(14)12-9(2)4-6-15-12/h3-7,11,14H,1-2H3
InChIKeyJHKVCHNDLPTKHP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.84
Rot. Bonds2

About (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol

(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 66272658) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
PubChem CID66272658
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccncc1C(O)c1sccc1C
InChIInChI=1S/C12H13NOS/c1-8-3-5-13-7-10(8)11(14)12-9(2)4-6-15-12/h3-7,11,14H,1-2H3
InChIKeyJHKVCHNDLPTKHP-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
(4-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 66271587
(2-aminophenyl)-(3-methylthiophen-2-yl)methanol
CID 79987439
(4-methyl-3-pyridinyl)-(5-methylthiophen-2-yl)methanol
CID 66273090
1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490
(3-methylthiophen-2-yl)-(1H-pyrazol-5-yl)methanol
CID 114988227
(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 107502869
(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
(4-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105110785
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanol
CID 114988226
(2-bromofuran-3-yl)-(4-methyl-3-pyridinyl)methanol
CID 106859365

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol (CID 66272658) is (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol is Cc1ccncc1C(O)c1sccc1C.
What is the InChIKey of (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is JHKVCHNDLPTKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-3-5-13-7-10(8)11(14)12-9(2)4-6-15-12/h3-7,11,14H,1-2H3.
What are the key properties of (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol?
(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 219.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 66272658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).