(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol

C11H10INOS — CID 115796818

IUPAC(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2csc(I)c2)cn1
InChIInChI=1S/C11H10INOS/c1-7-2-3-8(5-13-7)11(14)9-4-10(12)15-6-9/h2-6,11,14H,1H3
InChIKeyDMPRUBXQIUBEKW-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.14
Rot. Bonds2

About (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol

(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 115796818) has the molecular formula C11H10INOS and a molecular weight of 331.18 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID115796818
Molecular FormulaC11H10INOS
Molecular Weight331.18 g/mol
Exact Mass330.95
IUPAC Name(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2csc(I)c2)cn1
InChIInChI=1S/C11H10INOS/c1-7-2-3-8(5-13-7)11(14)9-4-10(12)15-6-9/h2-6,11,14H,1H3
InChIKeyDMPRUBXQIUBEKW-UHFFFAOYSA-N
XLogP3.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-4-pyridinyl)-(6-methyl-3-pyridinyl)methanol
CID 106756194
(6-methyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 63155454
(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684538
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 79684536
(6-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105096831
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075
(4-methoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63155903
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759
(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
CID 115793727
(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105096821
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
CID 79683741

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol (CID 115796818) is (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)c2csc(I)c2)cn1.
What is the InChIKey of (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is DMPRUBXQIUBEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INOS/c1-7-2-3-8(5-13-7)11(14)9-4-10(12)15-6-9/h2-6,11,14H,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol?
(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 331.18 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115796818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).