4-chloro-1,8-naphthyridine-3-carboxylic acid

C9H5ClN2O2 — CID 84676405

IUPAC4-chloro-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ncccc2c1Cl
InChIInChI=1S/C9H5ClN2O2/c10-7-5-2-1-3-11-8(5)12-4-6(7)9(13)14/h1-4H,(H,13,14)
InChIKeyNUMKXWQBDPIGAT-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.98
Rot. Bonds1

About 4-chloro-1,8-naphthyridine-3-carboxylic acid

4-chloro-1,8-naphthyridine-3-carboxylic acid (PubChem CID 84676405) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 4-chloro-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1,8-naphthyridine-3-carboxylic acid
PubChem CID84676405
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name4-chloro-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ncccc2c1Cl
InChIInChI=1S/C9H5ClN2O2/c10-7-5-2-1-3-11-8(5)12-4-6(7)9(13)14/h1-4H,(H,13,14)
InChIKeyNUMKXWQBDPIGAT-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-1,8-naphthyridine-3-carboxylic acid (CID 84676405) is 4-chloro-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cnc2ncccc2c1Cl.
What is the InChIKey of 4-chloro-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is NUMKXWQBDPIGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-7-5-2-1-3-11-8(5)12-4-6(7)9(13)14/h1-4H,(H,13,14).
What are the key properties of 4-chloro-1,8-naphthyridine-3-carboxylic acid?
4-chloro-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 208.60 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 84676405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).