(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

C16H16FNO — CID 65410799

IUPAC(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESOC(c1cncc(F)c1)C1CCc2ccccc2C1
InChIInChI=1S/C16H16FNO/c17-15-8-14(9-18-10-15)16(19)13-6-5-11-3-1-2-4-12(11)7-13/h1-4,8-10,13,16,19H,5-7H2
InChIKeyXMDJDTHZGRYALH-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.06
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (PubChem CID 65410799) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
PubChem CID65410799
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESOC(c1cncc(F)c1)C1CCc2ccccc2C1
InChIInChI=1S/C16H16FNO/c17-15-8-14(9-18-10-15)16(19)13-6-5-11-3-1-2-4-12(11)7-13/h1-4,8-10,13,16,19H,5-7H2
InChIKeyXMDJDTHZGRYALH-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
CID 107127371
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111410
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine
CID 115805155
(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
CID 115336470
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65410795
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550
(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
CID 114097414
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 114347478
(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 66752938
2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 104802640

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (CID 65410799) is (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is OC(c1cncc(F)c1)C1CCc2ccccc2C1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is XMDJDTHZGRYALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-8-14(9-18-10-15)16(19)13-6-5-11-3-1-2-4-12(11)7-13/h1-4,8-10,13,16,19H,5-7H2.
What are the key properties of (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 257.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 65410799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).