2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid

C12H14ClNO3 — CID 62946063

IUPAC2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
SMILESCC1CN(c2ccc(C(=O)O)c(Cl)c2)CCO1
InChIInChI=1S/C12H14ClNO3/c1-8-7-14(4-5-17-8)9-2-3-10(12(15)16)11(13)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyKRCLRLYLSGFFJA-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.26
Rot. Bonds2

About 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid

2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid (PubChem CID 62946063) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
PubChem CID62946063
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
SMILESCC1CN(c2ccc(C(=O)O)c(Cl)c2)CCO1
InChIInChI=1S/C12H14ClNO3/c1-8-7-14(4-5-17-8)9-2-3-10(12(15)16)11(13)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyKRCLRLYLSGFFJA-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
2-chloro-4-(3-methylpiperidin-1-yl)benzoic acid
CID 62945909
4-(3-chlorophenyl)-2-methylmorpholine
CID 170319463
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
2-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)benzoic acid
CID 55217516
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
2-chloro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 106315203
2-chloro-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)benzoic acid
CID 79695688
[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone
CID 166781261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid?
The IUPAC name of 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid (CID 62946063) is 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid is CC1CN(c2ccc(C(=O)O)c(Cl)c2)CCO1.
What is the InChIKey of 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid?
The InChIKey is KRCLRLYLSGFFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8-7-14(4-5-17-8)9-2-3-10(12(15)16)11(13)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid?
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid has a molecular weight of 255.70 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 62946063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).