3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid

C9H6ClN3O3S — CID 81445483

IUPAC3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1nnsc1Cl
InChIInChI=1S/C9H6ClN3O3S/c10-8-6(12-13-17-8)4-16-7-3-11-2-1-5(7)9(14)15/h1-3H,4H2,(H,14,15)
InChIKeyDOTRMRRCUVHROL-UHFFFAOYSA-N
MW271.69 g/mol
LogP1.86
Rot. Bonds4

About 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid

3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81445483) has the molecular formula C9H6ClN3O3S and a molecular weight of 271.69 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID81445483
Molecular FormulaC9H6ClN3O3S
Molecular Weight271.69 g/mol
Exact Mass270.98
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1nnsc1Cl
InChIInChI=1S/C9H6ClN3O3S/c10-8-6(12-13-17-8)4-16-7-3-11-2-1-5(7)9(14)15/h1-3H,4H2,(H,14,15)
InChIKeyDOTRMRRCUVHROL-UHFFFAOYSA-N
XLogP1.86
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081
3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid
CID 102663375
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81445898
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
CID 81445559
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid (CID 81445483) is 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1nnsc1Cl.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is DOTRMRRCUVHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3S/c10-8-6(12-13-17-8)4-16-7-3-11-2-1-5(7)9(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 271.69 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81445483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).