(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol

C13H17F2NO2 — CID 114054843

IUPAC(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2NO2/c1-18-10-3-2-8-16-11(10)12(17)9-4-6-13(14,15)7-5-9/h2-3,8-9,12,17H,4-7H2,1H3
InChIKeyONMLKWVYVULDFP-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.95
Rot. Bonds3

About (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol

(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol (PubChem CID 114054843) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol
PubChem CID114054843
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2NO2/c1-18-10-3-2-8-16-11(10)12(17)9-4-6-13(14,15)7-5-9/h2-3,8-9,12,17H,4-7H2,1H3
InChIKeyONMLKWVYVULDFP-UHFFFAOYSA-N
XLogP2.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
2-(4-fluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053745
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053743
[(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285751
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol (CID 114054843) is (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol is COc1cccnc1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol?
The InChIKey is ONMLKWVYVULDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-18-10-3-2-8-16-11(10)12(17)9-4-6-13(14,15)7-5-9/h2-3,8-9,12,17H,4-7H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol?
(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol has a molecular weight of 257.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 114054843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).