(2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate

C9H6ClFN2O3S — CID 141168061

IUPAC(2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate
SMILESO=S(=O)(CF)Oc1nccc2ccc(Cl)nc12
InChIInChI=1S/C9H6ClFN2O3S/c10-7-2-1-6-3-4-12-9(8(6)13-7)16-17(14,15)5-11/h1-4H,5H2
InChIKeyQUVAJZCWYQUKFA-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.92
Rot. Bonds3

About (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate

(2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate (PubChem CID 141168061) has the molecular formula C9H6ClFN2O3S and a molecular weight of 276.68 g/mol. Its IUPAC name is (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate.

Molecular Properties

Compound Name(2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate
PubChem CID141168061
Molecular FormulaC9H6ClFN2O3S
Molecular Weight276.68 g/mol
Exact Mass275.98
IUPAC Name(2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate
SMILESO=S(=O)(CF)Oc1nccc2ccc(Cl)nc12
InChIInChI=1S/C9H6ClFN2O3S/c10-7-2-1-6-3-4-12-9(8(6)13-7)16-17(14,15)5-11/h1-4H,5H2
InChIKeyQUVAJZCWYQUKFA-UHFFFAOYSA-N
XLogP1.92
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2,7-dichloro-1,8-phenanthroline
CID 14040331
3,4-dichloro-2-(fluoromethoxy)pyridine
CID 67376362
2-chloro-9-(difluoromethyl)-1,10-phenanthroline
CID 146169798
2-chloro-9-pyridin-2-yl-1,10-phenanthroline
CID 170902643
2-chloroquinoline-8-carboxamide
CID 118665273
(4-chloropyrimidin-2-yl)sulfonylformaldehyde
CID 88728004
2-chloro-8-(chloromethyl)quinoline
CID 83223853
2,7-dichloro-8-methylquinoline
CID 53217380
8-bromo-2-chloro-7-methoxy-1,6-naphthyridine
CID 139536254
2-chloro-8-prop-2-enoxyquinoline-5-sulfonyl chloride
CID 83224316
1-(6-chloropyrimidin-4-yl)oxyisoquinoline
CID 87890292
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate?
The IUPAC name of (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate (CID 141168061) is (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate.
What is the SMILES notation for (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate?
The canonical SMILES for (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate is O=S(=O)(CF)Oc1nccc2ccc(Cl)nc12.
What is the InChIKey of (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate?
The InChIKey is QUVAJZCWYQUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O3S/c10-7-2-1-6-3-4-12-9(8(6)13-7)16-17(14,15)5-11/h1-4H,5H2.
What are the key properties of (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate?
(2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate has a molecular weight of 276.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate is sourced from PubChem (CID 141168061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).