2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol

C14H18FNO2 — CID 114270352

IUPAC2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1nccc(C(O)C2CC3CCC2C3)c1F
InChIInChI=1S/C14H18FNO2/c1-18-14-12(15)10(4-5-16-14)13(17)11-7-8-2-3-9(11)6-8/h4-5,8-9,11,13,17H,2-3,6-7H2,1H3
InChIKeyQLYSCEVZNLNZEG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.70
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol

2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol (PubChem CID 114270352) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol
PubChem CID114270352
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1nccc(C(O)C2CC3CCC2C3)c1F
InChIInChI=1S/C14H18FNO2/c1-18-14-12(15)10(4-5-16-14)13(17)11-7-8-2-3-9(11)6-8/h4-5,8-9,11,13,17H,2-3,6-7H2,1H3
InChIKeyQLYSCEVZNLNZEG-UHFFFAOYSA-N
XLogP2.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol (CID 114270352) is 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol is COc1nccc(C(O)C2CC3CCC2C3)c1F.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The InChIKey is QLYSCEVZNLNZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-14-12(15)10(4-5-16-14)13(17)11-7-8-2-3-9(11)6-8/h4-5,8-9,11,13,17H,2-3,6-7H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol has a molecular weight of 251.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 114270352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).