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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Related Compounds

2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
CID 113383462
1-(3-fluoro-2-methoxy-4-pyridinyl)propan-1-ol
CID 130506809
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 114246814
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
CID 114270280
2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol
CID 81473785
2-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63447813
1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
CID 61363792
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
CID 63426688

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).