4-chloro-6-methoxycinnoline-3-carboxylic acid

C10H7ClN2O3 — CID 83898135

IUPAC4-chloro-6-methoxycinnoline-3-carboxylic acid
SMILESCOc1ccc2nnc(C(=O)O)c(Cl)c2c1
InChIInChI=1S/C10H7ClN2O3/c1-16-5-2-3-7-6(4-5)8(11)9(10(14)15)13-12-7/h2-4H,1H3,(H,14,15)
InChIKeyJNCXWAKQDPELBF-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.99
Rot. Bonds2

About 4-chloro-6-methoxycinnoline-3-carboxylic acid

4-chloro-6-methoxycinnoline-3-carboxylic acid (PubChem CID 83898135) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 4-chloro-6-methoxycinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-methoxycinnoline-3-carboxylic acid
PubChem CID83898135
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name4-chloro-6-methoxycinnoline-3-carboxylic acid
SMILESCOc1ccc2nnc(C(=O)O)c(Cl)c2c1
InChIInChI=1S/C10H7ClN2O3/c1-16-5-2-3-7-6(4-5)8(11)9(10(14)15)13-12-7/h2-4H,1H3,(H,14,15)
InChIKeyJNCXWAKQDPELBF-UHFFFAOYSA-N
XLogP1.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxycinnoline-3-carboxylic acid?
The IUPAC name of 4-chloro-6-methoxycinnoline-3-carboxylic acid (CID 83898135) is 4-chloro-6-methoxycinnoline-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-methoxycinnoline-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-methoxycinnoline-3-carboxylic acid is COc1ccc2nnc(C(=O)O)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxycinnoline-3-carboxylic acid?
The InChIKey is JNCXWAKQDPELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-16-5-2-3-7-6(4-5)8(11)9(10(14)15)13-12-7/h2-4H,1H3,(H,14,15).
What are the key properties of 4-chloro-6-methoxycinnoline-3-carboxylic acid?
4-chloro-6-methoxycinnoline-3-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxycinnoline-3-carboxylic acid is sourced from PubChem (CID 83898135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).