methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate

C15H10ClN3O2 — CID 135372999

IUPACmethyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1
InChIInChI=1S/C15H10ClN3O2/c1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14/h2-8H,1H3
InChIKeyAUJIDWBPEXSBDU-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.13
Rot. Bonds2

About methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate

methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate (PubChem CID 135372999) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate
PubChem CID135372999
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Namemethyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1
InChIInChI=1S/C15H10ClN3O2/c1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14/h2-8H,1H3
InChIKeyAUJIDWBPEXSBDU-UHFFFAOYSA-N
XLogP3.13
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate (CID 135372999) is methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1.
What is the InChIKey of methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate?
The InChIKey is AUJIDWBPEXSBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14/h2-8H,1H3.
What are the key properties of methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate?
methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate has a molecular weight of 299.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 135372999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).