methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate

C11H15ClN2O4 — CID 171858607

IUPACmethyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
SMILESCNCC(O)C(O)c1cc(C(=O)OC)cnc1Cl
InChIInChI=1S/C11H15ClN2O4/c1-13-5-8(15)9(16)7-3-6(11(17)18-2)4-14-10(7)12/h3-4,8-9,13,15-16H,5H2,1-2H3
InChIKeyARBSKOVEJTVUFG-UHFFFAOYSA-N
MW274.70 g/mol
LogP0.14
Rot. Bonds5

About methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate

methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate (PubChem CID 171858607) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
PubChem CID171858607
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Namemethyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
SMILESCNCC(O)C(O)c1cc(C(=O)OC)cnc1Cl
InChIInChI=1S/C11H15ClN2O4/c1-13-5-8(15)9(16)7-3-6(11(17)18-2)4-14-10(7)12/h3-4,8-9,13,15-16H,5H2,1-2H3
InChIKeyARBSKOVEJTVUFG-UHFFFAOYSA-N
XLogP0.14
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170824623
1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol
CID 171858601
methyl 3-[1,2-dihydroxy-3-(methylamino)propyl]-4-methylbenzoate
CID 171858509
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308
methyl 4-(2,5-dichloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895342
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890
6-chloro-5-(1,2-dihydroxy-3-sulfanylpropyl)pyridine-3-carboxylic acid
CID 170820309
methyl 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]benzoate
CID 171858622
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
methyl 4-(2-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895962

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate (CID 171858607) is methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate is CNCC(O)C(O)c1cc(C(=O)OC)cnc1Cl.
What is the InChIKey of methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
The InChIKey is ARBSKOVEJTVUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-13-5-8(15)9(16)7-3-6(11(17)18-2)4-14-10(7)12/h3-4,8-9,13,15-16H,5H2,1-2H3.
What are the key properties of methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate has a molecular weight of 274.70 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate is sourced from PubChem (CID 171858607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).