ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate

C16H13N3O2 — CID 175253783

IUPACethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C16H13N3O2/c1-2-21-16(20)12-7-9-17-14(10-12)13-6-5-11-4-3-8-18-15(11)19-13/h3-10H,2H2,1H3
InChIKeyXGDZJLJJZWSTJL-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.87
Rot. Bonds3

About ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate

ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate (PubChem CID 175253783) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
PubChem CID175253783
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Nameethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C16H13N3O2/c1-2-21-16(20)12-7-9-17-14(10-12)13-6-5-11-4-3-8-18-15(11)19-13/h3-10H,2H2,1H3
InChIKeyXGDZJLJJZWSTJL-UHFFFAOYSA-N
XLogP2.87
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylic acid;ruthenium
CID 175374249
ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734946
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
CID 22557799
ethyl selenopheno[2,3-b]pyridine-2-carboxylate
CID 611014
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate (CID 175253783) is ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2ccc3cccnc3n2)c1.
What is the InChIKey of ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
The InChIKey is XGDZJLJJZWSTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-2-21-16(20)12-7-9-17-14(10-12)13-6-5-11-4-3-8-18-15(11)19-13/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 175253783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).