[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate

C15H13ClN2O4 — CID 5138081

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESCC(OC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c1-9(14(20)18-13-7-6-10(16)8-17-13)22-15(21)11-4-2-3-5-12(11)19/h2-9,19H,1H3,(H,17,18,20)
InChIKeyWFXAEORENVSJMQ-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.62
Rot. Bonds4

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate (PubChem CID 5138081) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate
PubChem CID5138081
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESCC(OC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c1-9(14(20)18-13-7-6-10(16)8-17-13)22-15(21)11-4-2-3-5-12(11)19/h2-9,19H,1H3,(H,17,18,20)
InChIKeyWFXAEORENVSJMQ-UHFFFAOYSA-N
XLogP2.62
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 2375549
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2375578
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 2636191
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 4785222
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2128296
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 2386496
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate
CID 2493718
methyl 4-[(E)-3-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate
CID 6212234
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 16525813
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 24687083

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate (CID 5138081) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate is CC(OC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate?
The InChIKey is WFXAEORENVSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-9(14(20)18-13-7-6-10(16)8-17-13)22-15(21)11-4-2-3-5-12(11)19/h2-9,19H,1H3,(H,17,18,20).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate has a molecular weight of 320.73 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate is sourced from PubChem (CID 5138081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).