methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate

C10H11ClN2O4 — CID 113358681

IUPACmethyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-17-10(16)8(14)5-13-9(15)6-2-3-12-4-7(6)11/h2-4,8,14H,5H2,1H3,(H,13,15)
InChIKeyKTKNQWMNGMQUHW-UHFFFAOYSA-N
MW258.66 g/mol
LogP-0.00
Rot. Bonds4

About methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate

methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 113358681) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
PubChem CID113358681
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Namemethyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-17-10(16)8(14)5-13-9(15)6-2-3-12-4-7(6)11/h2-4,8,14H,5H2,1H3,(H,13,15)
InChIKeyKTKNQWMNGMQUHW-UHFFFAOYSA-N
XLogP-0.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
methyl 3-[(2-chloro-4-nitrobenzoyl)amino]-2-hydroxypropanoate
CID 103879220
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate (CID 113358681) is methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccncc1Cl.
What is the InChIKey of methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is KTKNQWMNGMQUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-17-10(16)8(14)5-13-9(15)6-2-3-12-4-7(6)11/h2-4,8,14H,5H2,1H3,(H,13,15).
What are the key properties of methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 258.66 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 113358681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).