methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate

C10H10BrClN2O4 — CID 154765022

IUPACmethyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1cc(Cl)c(Br)cn1
InChIInChI=1S/C10H10BrClN2O4/c1-18-10(17)8(4-15)14-9(16)7-2-6(12)5(11)3-13-7/h2-3,8,15H,4H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyJICLNPQBOZUUNF-QMMMGPOBSA-N
MW337.56 g/mol
LogP0.76
Rot. Bonds4

About methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate

methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 154765022) has the molecular formula C10H10BrClN2O4 and a molecular weight of 337.56 g/mol. Its IUPAC name is methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate
PubChem CID154765022
Molecular FormulaC10H10BrClN2O4
Molecular Weight337.56 g/mol
Exact Mass335.95
IUPAC Namemethyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1cc(Cl)c(Br)cn1
InChIInChI=1S/C10H10BrClN2O4/c1-18-10(17)8(4-15)14-9(16)7-2-6(12)5(11)3-13-7/h2-3,8,15H,4H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyJICLNPQBOZUUNF-QMMMGPOBSA-N
XLogP0.76
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389
methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
CID 43405671
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222
methyl (2S)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277756
methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
CID 43623494
methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43407191
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43409034
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
CID 43407026

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate (CID 154765022) is methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate is COC(=O)[C@H](CO)NC(=O)c1cc(Cl)c(Br)cn1.
What is the InChIKey of methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is JICLNPQBOZUUNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10BrClN2O4/c1-18-10(17)8(4-15)14-9(16)7-2-6(12)5(11)3-13-7/h2-3,8,15H,4H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate?
methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 337.56 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 154765022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).