methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine

C14H22ClN3O3 — CID 145012145

IUPACmethyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1.COC(=O)c1ccnc(Cl)c1N
InChIInChI=1S/C7H7ClN2O2.C7H15NO/c1-12-7(11)4-2-3-10-6(8)5(4)9;1-7(2)8-3-5-9-6-4-8/h2-3H,9H2,1H3;7H,3-6H2,1-2H3
InChIKeyXYQOZTHBFYYHEA-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.83
Rot. Bonds2

About methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine

methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine (PubChem CID 145012145) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine.

Molecular Properties

Compound Namemethyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine
PubChem CID145012145
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Namemethyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1.COC(=O)c1ccnc(Cl)c1N
InChIInChI=1S/C7H7ClN2O2.C7H15NO/c1-12-7(11)4-2-3-10-6(8)5(4)9;1-7(2)8-3-5-9-6-4-8/h2-3H,9H2,1H3;7H,3-6H2,1-2H3
InChIKeyXYQOZTHBFYYHEA-UHFFFAOYSA-N
XLogP1.83
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate
CID 83022806
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 2-chloro-4-propan-2-ylpyridine-3-carboxylate
CID 167472553
methyl 3-amino-2-(3,4,5-trichlorophenyl)pyridine-4-carboxylate
CID 134636195
methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
CID 116802609
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate
CID 133087227
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine?
The IUPAC name of methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine (CID 145012145) is methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine.
What is the SMILES notation for methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine?
The canonical SMILES for methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine is CC(C)N1CCOCC1.COC(=O)c1ccnc(Cl)c1N.
What is the InChIKey of methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine?
The InChIKey is XYQOZTHBFYYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2.C7H15NO/c1-12-7(11)4-2-3-10-6(8)5(4)9;1-7(2)8-3-5-9-6-4-8/h2-3H,9H2,1H3;7H,3-6H2,1-2H3.
What are the key properties of methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine?
methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine has a molecular weight of 315.80 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine is sourced from PubChem (CID 145012145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).