1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol

C17H16FNO — CID 115833981

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccncc1F)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H16FNO/c18-14-9-19-8-7-12(14)17(20)16-13-6-5-10-3-1-2-4-11(10)15(13)16/h1-4,7-9,13,15-17,20H,5-6H2
InChIKeyXTECVTSGVBVUIA-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.23
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol (PubChem CID 115833981) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol
PubChem CID115833981
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccncc1F)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H16FNO/c18-14-9-19-8-7-12(14)17(20)16-13-6-5-10-3-1-2-4-11(10)15(13)16/h1-4,7-9,13,15-17,20H,5-6H2
InChIKeyXTECVTSGVBVUIA-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
CID 115833955
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 105006553
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methyltriazol-4-yl)methanol
CID 115835997
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320552
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
CID 114981786
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol
CID 115798870
2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol
CID 104738109
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine
CID 115805155
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 115839213
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
CID 115802125
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol (CID 115833981) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol is OC(c1ccncc1F)C1C2CCc3ccccc3C21.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is XTECVTSGVBVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-14-9-19-8-7-12(14)17(20)16-13-6-5-10-3-1-2-4-11(10)15(13)16/h1-4,7-9,13,15-17,20H,5-6H2.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 269.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 115833981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).