ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate

C11H15ClN2O3 — CID 145219375

IUPACethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(Cl)C[C@H](C)O)nc1
InChIInChI=1S/C11H15ClN2O3/c1-3-17-11(16)9-4-5-10(13-6-9)14(12)7-8(2)15/h4-6,8,15H,3,7H2,1-2H3/t8-/m0/s1
InChIKeyWAUAAOXNSLNASQ-QMMMGPOBSA-N
MW258.70 g/mol
LogP1.60
Rot. Bonds5

About ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate

ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate (PubChem CID 145219375) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
PubChem CID145219375
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Nameethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(Cl)C[C@H](C)O)nc1
InChIInChI=1S/C11H15ClN2O3/c1-3-17-11(16)9-4-5-10(13-6-9)14(12)7-8(2)15/h4-6,8,15H,3,7H2,1-2H3/t8-/m0/s1
InChIKeyWAUAAOXNSLNASQ-QMMMGPOBSA-N
XLogP1.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 55173955
ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
ethyl 6-butan-2-ylpyridine-3-carboxylate
CID 143474264
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
ethyl 3-[bis(2-hydroxypropyl)amino]benzoate
CID 101317489
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248
N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide
CID 99778610

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate (CID 145219375) is ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(N(Cl)C[C@H](C)O)nc1.
What is the InChIKey of ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
The InChIKey is WAUAAOXNSLNASQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-3-17-11(16)9-4-5-10(13-6-9)14(12)7-8(2)15/h4-6,8,15H,3,7H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate has a molecular weight of 258.70 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 145219375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).