5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid

C10H7ClN4O4 — CID 63852585

IUPAC5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid
SMILESCOc1nc(Cl)nc(Oc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C10H7ClN4O4/c1-18-9-13-8(11)14-10(15-9)19-6-2-5(7(16)17)3-12-4-6/h2-4H,1H3,(H,16,17)
InChIKeyVFNAAYOPWDMNNG-UHFFFAOYSA-N
MW282.64 g/mol
LogP1.42
Rot. Bonds4

About 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid

5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid (PubChem CID 63852585) has the molecular formula C10H7ClN4O4 and a molecular weight of 282.64 g/mol. Its IUPAC name is 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid
PubChem CID63852585
Molecular FormulaC10H7ClN4O4
Molecular Weight282.64 g/mol
Exact Mass282.02
IUPAC Name5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid
SMILESCOc1nc(Cl)nc(Oc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C10H7ClN4O4/c1-18-9-13-8(11)14-10(15-9)19-6-2-5(7(16)17)3-12-4-6/h2-4H,1H3,(H,16,17)
InChIKeyVFNAAYOPWDMNNG-UHFFFAOYSA-N
XLogP1.42
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
CID 62857687
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 113469480
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
2-chloro-4-methoxy-6-[4-(trifluoromethyl)phenoxy]-1,3,5-triazine
CID 62857484
5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid
CID 65208563
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
CID 62858062
5-formyloxypyridine-3-carboxylic acid
CID 153455132

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid (CID 63852585) is 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid is COc1nc(Cl)nc(Oc2cncc(C(=O)O)c2)n1.
What is the InChIKey of 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid?
The InChIKey is VFNAAYOPWDMNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O4/c1-18-9-13-8(11)14-10(15-9)19-6-2-5(7(16)17)3-12-4-6/h2-4H,1H3,(H,16,17).
What are the key properties of 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid?
5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid has a molecular weight of 282.64 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63852585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).