methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate

C17H13ClN2O2 — CID 162527864

IUPACmethyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc3c(Cl)ccc(N)c3c2)n1
InChIInChI=1S/C17H13ClN2O2/c1-22-17(21)16-4-2-3-15(20-16)10-5-6-11-12(9-10)14(19)8-7-13(11)18/h2-9H,19H2,1H3
InChIKeyBVKUTZZTJAQXHA-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.92
Rot. Bonds2

About methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate

methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate (PubChem CID 162527864) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate
PubChem CID162527864
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Namemethyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc3c(Cl)ccc(N)c3c2)n1
InChIInChI=1S/C17H13ClN2O2/c1-22-17(21)16-4-2-3-15(20-16)10-5-6-11-12(9-10)14(19)8-7-13(11)18/h2-9H,19H2,1H3
InChIKeyBVKUTZZTJAQXHA-UHFFFAOYSA-N
XLogP3.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate (CID 162527864) is methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2ccc3c(Cl)ccc(N)c3c2)n1.
What is the InChIKey of methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate?
The InChIKey is BVKUTZZTJAQXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-22-17(21)16-4-2-3-15(20-16)10-5-6-11-12(9-10)14(19)8-7-13(11)18/h2-9H,19H2,1H3.
What are the key properties of methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate?
methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate has a molecular weight of 312.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(8-amino-5-chloronaphthalen-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 162527864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).