4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid

C16H13NO4S — CID 11109843

IUPAC4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCOCc1ccc(Oc2cncc3sc(C(=O)O)cc23)cc1
InChIInChI=1S/C16H13NO4S/c1-20-9-10-2-4-11(5-3-10)21-13-7-17-8-15-12(13)6-14(22-15)16(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJOZFKSKSWJZCLY-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.93
Rot. Bonds5

About 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid

4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 11109843) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID11109843
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCOCc1ccc(Oc2cncc3sc(C(=O)O)cc23)cc1
InChIInChI=1S/C16H13NO4S/c1-20-9-10-2-4-11(5-3-10)21-13-7-17-8-15-12(13)6-14(22-15)16(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJOZFKSKSWJZCLY-UHFFFAOYSA-N
XLogP3.93
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(oxoboranylmethylamino)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 20594279
4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
CID 11121450
4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 18516240
ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate
CID 10154441
methyl 4-[4-[1-(trityloxymethyl)cyclopropyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 11135740
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone
CID 18516124
4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 10155661
[4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol
CID 142031522
actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 158085064
4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 20594234
4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide
CID 76852973

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid (CID 11109843) is 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid is COCc1ccc(Oc2cncc3sc(C(=O)O)cc23)cc1.
What is the InChIKey of 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is JOZFKSKSWJZCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-20-9-10-2-4-11(5-3-10)21-13-7-17-8-15-12(13)6-14(22-15)16(18)19/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid?
4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 11109843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).