6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline

C15H16FN3 — CID 58095817

IUPAC6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline
SMILESCN1CCc2cc(-c3ccnc(F)c3)ccc2N1C
InChIInChI=1S/C15H16FN3/c1-18-8-6-13-9-11(3-4-14(13)19(18)2)12-5-7-17-15(16)10-12/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyOABLVEHZNLYPSR-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.73
Rot. Bonds1

About 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline

6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline (PubChem CID 58095817) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline.

Molecular Properties

Compound Name6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline
PubChem CID58095817
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline
SMILESCN1CCc2cc(-c3ccnc(F)c3)ccc2N1C
InChIInChI=1S/C15H16FN3/c1-18-8-6-13-9-11(3-4-14(13)19(18)2)12-5-7-17-15(16)10-12/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyOABLVEHZNLYPSR-UHFFFAOYSA-N
XLogP2.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,6-trimethyl-3,4-dihydrocinnoline
CID 58095805
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235
4-(2-fluoro-4-pyridinyl)benzoic acid
CID 155289889
4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine
CID 62082202
2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 39226206
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
[(1S)-6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226522
2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088728
6-(2-fluoro-4-pyridinyl)-2-piperidin-1-ylquinoline
CID 175995097
5-fluoro-1-methoxy-2,3-dihydroindole
CID 18711708
9'-(2-fluoro-4-pyridinyl)-5'-methyl-4'-methylidenespiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]
CID 163479665

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline?
The IUPAC name of 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline (CID 58095817) is 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline.
What is the SMILES notation for 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline?
The canonical SMILES for 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline is CN1CCc2cc(-c3ccnc(F)c3)ccc2N1C.
What is the InChIKey of 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline?
The InChIKey is OABLVEHZNLYPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-18-8-6-13-9-11(3-4-14(13)19(18)2)12-5-7-17-15(16)10-12/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline?
6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline has a molecular weight of 257.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-pyridinyl)-1,2-dimethyl-3,4-dihydrocinnoline is sourced from PubChem (CID 58095817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).