5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine

C15H11F2N3O3S — CID 170349620

IUPAC5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
SMILESO=c1ccc2c(-c3c(F)cc(CNS(=O)O)cc3F)ccnc2[nH]1
InChIInChI=1S/C15H11F2N3O3S/c16-11-5-8(7-19-24(22)23)6-12(17)14(11)9-3-4-18-15-10(9)1-2-13(21)20-15/h1-6,19H,7H2,(H,22,23)(H,18,20,21)
InChIKeyYLOMHIFNOPZANS-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.09
Rot. Bonds4

About 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine

5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine (PubChem CID 170349620) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine.

Molecular Properties

Compound Name5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
PubChem CID170349620
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC Name5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
SMILESO=c1ccc2c(-c3c(F)cc(CNS(=O)O)cc3F)ccnc2[nH]1
InChIInChI=1S/C15H11F2N3O3S/c16-11-5-8(7-19-24(22)23)6-12(17)14(11)9-3-4-18-15-10(9)1-2-13(21)20-15/h1-6,19H,7H2,(H,22,23)(H,18,20,21)
InChIKeyYLOMHIFNOPZANS-UHFFFAOYSA-N
XLogP2.09
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 164563698
5-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349595
5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one
CID 171456884
5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
CID 164563669
5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
CID 164563738
1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
CID 169096609
5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 164563700
tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563752
5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563764
5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563801
2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
CID 154630885
5-ethenyl-1H-1,8-naphthyridin-2-one
CID 91107256

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The IUPAC name of 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine (CID 170349620) is 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine.
What is the SMILES notation for 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The canonical SMILES for 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine is O=c1ccc2c(-c3c(F)cc(CNS(=O)O)cc3F)ccnc2[nH]1.
What is the InChIKey of 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The InChIKey is YLOMHIFNOPZANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c16-11-5-8(7-19-24(22)23)6-12(17)14(11)9-3-4-18-15-10(9)1-2-13(21)20-15/h1-6,19H,7H2,(H,22,23)(H,18,20,21).
What are the key properties of 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine has a molecular weight of 351.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine is sourced from PubChem (CID 170349620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).