methyl 2-chloro-1,8-naphthyridine-4-carboxylate

C10H7ClN2O2 — CID 138040304

IUPACmethyl 2-chloro-1,8-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2ncccc12
InChIInChI=1S/C10H7ClN2O2/c1-15-10(14)7-5-8(11)13-9-6(7)3-2-4-12-9/h2-5H,1H3
InChIKeyFCWSJZMQNWUKLW-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.07
Rot. Bonds1

About methyl 2-chloro-1,8-naphthyridine-4-carboxylate

methyl 2-chloro-1,8-naphthyridine-4-carboxylate (PubChem CID 138040304) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is methyl 2-chloro-1,8-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-1,8-naphthyridine-4-carboxylate
PubChem CID138040304
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Namemethyl 2-chloro-1,8-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2ncccc12
InChIInChI=1S/C10H7ClN2O2/c1-15-10(14)7-5-8(11)13-9-6(7)3-2-4-12-9/h2-5H,1H3
InChIKeyFCWSJZMQNWUKLW-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-1,8-naphthyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-1,8-naphthyridine-4-carboxylate (CID 138040304) is methyl 2-chloro-1,8-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-1,8-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-1,8-naphthyridine-4-carboxylate is COC(=O)c1cc(Cl)nc2ncccc12.
What is the InChIKey of methyl 2-chloro-1,8-naphthyridine-4-carboxylate?
The InChIKey is FCWSJZMQNWUKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-15-10(14)7-5-8(11)13-9-6(7)3-2-4-12-9/h2-5H,1H3.
What are the key properties of methyl 2-chloro-1,8-naphthyridine-4-carboxylate?
methyl 2-chloro-1,8-naphthyridine-4-carboxylate has a molecular weight of 222.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-1,8-naphthyridine-4-carboxylate is sourced from PubChem (CID 138040304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).