5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid

C17H17ClN2O3 — CID 68573321

IUPAC5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(-c2cnc(N3CCOCC3)c(C(=O)O)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-2-3-15(18)13(8-11)12-9-14(17(21)22)16(19-10-12)20-4-6-23-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,21,22)
InChIKeyRULANTZBBQLFHX-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.25
Rot. Bonds3

About 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid

5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid (PubChem CID 68573321) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid
PubChem CID68573321
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(-c2cnc(N3CCOCC3)c(C(=O)O)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-2-3-15(18)13(8-11)12-9-14(17(21)22)16(19-10-12)20-4-6-23-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,21,22)
InChIKeyRULANTZBBQLFHX-UHFFFAOYSA-N
XLogP3.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid (CID 68573321) is 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid is Cc1ccc(Cl)c(-c2cnc(N3CCOCC3)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid?
The InChIKey is RULANTZBBQLFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-2-3-15(18)13(8-11)12-9-14(17(21)22)16(19-10-12)20-4-6-23-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,21,22).
What are the key properties of 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid?
5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 68573321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).