2-(1,6-naphthyridin-3-yl)acetic acid

C10H8N2O2 — CID 84770667

IUPAC2-(1,6-naphthyridin-3-yl)acetic acid
SMILESO=C(O)Cc1cnc2ccncc2c1
InChIInChI=1S/C10H8N2O2/c13-10(14)4-7-3-8-6-11-2-1-9(8)12-5-7/h1-3,5-6H,4H2,(H,13,14)
InChIKeyLMKPXAAJHKWGBU-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.26
Rot. Bonds2

About 2-(1,6-naphthyridin-3-yl)acetic acid

2-(1,6-naphthyridin-3-yl)acetic acid (PubChem CID 84770667) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(1,6-naphthyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,6-naphthyridin-3-yl)acetic acid
PubChem CID84770667
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(1,6-naphthyridin-3-yl)acetic acid
SMILESO=C(O)Cc1cnc2ccncc2c1
InChIInChI=1S/C10H8N2O2/c13-10(14)4-7-3-8-6-11-2-1-9(8)12-5-7/h1-3,5-6H,4H2,(H,13,14)
InChIKeyLMKPXAAJHKWGBU-UHFFFAOYSA-N
XLogP1.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-isoquinolin-6-ylacetic acid
CID 19098542
1,6-naphthyridin-3-ylmethanesulfonyl chloride
CID 84801776
2-(3-bromoquinolin-6-yl)acetic acid
CID 59320341
2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
CID 131869928
1,6-naphthyridine-3-carboxylate
CID 19816512
1-[2-(1,6-naphthyridin-3-yl)ethyl]cyclopropan-1-amine
CID 105467012
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
CID 118560478
2-pyrido[3,4-d]pyrimidin-2-ylacetic acid
CID 83877060
CID 66868100
CID 66868100
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
2-(2-pyridin-4-yl-1,3-benzothiazol-6-yl)acetic acid
CID 39105403

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-naphthyridin-3-yl)acetic acid?
The IUPAC name of 2-(1,6-naphthyridin-3-yl)acetic acid (CID 84770667) is 2-(1,6-naphthyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1,6-naphthyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1,6-naphthyridin-3-yl)acetic acid is O=C(O)Cc1cnc2ccncc2c1.
What is the InChIKey of 2-(1,6-naphthyridin-3-yl)acetic acid?
The InChIKey is LMKPXAAJHKWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)4-7-3-8-6-11-2-1-9(8)12-5-7/h1-3,5-6H,4H2,(H,13,14).
What are the key properties of 2-(1,6-naphthyridin-3-yl)acetic acid?
2-(1,6-naphthyridin-3-yl)acetic acid has a molecular weight of 188.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-naphthyridin-3-yl)acetic acid is sourced from PubChem (CID 84770667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).