methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate

C14H11N3O2 — CID 134501033

IUPACmethyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cccnc3n2)c[nH]1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)12-7-10(8-16-12)11-5-4-9-3-2-6-15-13(9)17-11/h2-8,16H,1H3
InChIKeyAIYZHXICISAHHV-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.41
Rot. Bonds2

About methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate

methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 134501033) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate
PubChem CID134501033
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namemethyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cccnc3n2)c[nH]1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)12-7-10(8-16-12)11-5-4-9-3-2-6-15-13(9)17-11/h2-8,16H,1H3
InChIKeyAIYZHXICISAHHV-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate (CID 134501033) is methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate is COC(=O)c1cc(-c2ccc3cccnc3n2)c[nH]1.
What is the InChIKey of methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is AIYZHXICISAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14(18)12-7-10(8-16-12)11-5-4-9-3-2-6-15-13(9)17-11/h2-8,16H,1H3.
What are the key properties of methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate?
methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 134501033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).