(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone

C14H13NO2S — CID 115793452

IUPAC(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
SMILESCOc1cncc(C(=O)c2ccccc2SC)c1
InChIInChI=1S/C14H13NO2S/c1-17-11-7-10(8-15-9-11)14(16)12-5-3-4-6-13(12)18-2/h3-9H,1-2H3
InChIKeyQERZVDKUTLJAKA-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.04
Rot. Bonds4

About (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone

(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone (PubChem CID 115793452) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
PubChem CID115793452
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
SMILESCOc1cncc(C(=O)c2ccccc2SC)c1
InChIInChI=1S/C14H13NO2S/c1-17-11-7-10(8-15-9-11)14(16)12-5-3-4-6-13(12)18-2/h3-9H,1-2H3
InChIKeyQERZVDKUTLJAKA-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
CID 105123960
(5-methoxy-3-pyridinyl)-quinolin-8-ylmethanone
CID 105124008
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 79214245
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785
[4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylphenyl]-phenylmethanone
CID 174960866
(5-methoxy-3-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 115793456
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone (CID 115793452) is (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone is COc1cncc(C(=O)c2ccccc2SC)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is QERZVDKUTLJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-11-7-10(8-15-9-11)14(16)12-5-3-4-6-13(12)18-2/h3-9H,1-2H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone?
(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 259.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 115793452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).