(5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol

C7H10FNO — CID 90434033

IUPAC(5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol
SMILESCC1NC=C(F)C=C1CO
InChIInChI=1S/C7H10FNO/c1-5-6(4-10)2-7(8)3-9-5/h2-3,5,9-10H,4H2,1H3
InChIKeyCLVKOMYKPVXIMX-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.71
Rot. Bonds1

About (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol

(5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol (PubChem CID 90434033) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol
PubChem CID90434033
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol
SMILESCC1NC=C(F)C=C1CO
InChIInChI=1S/C7H10FNO/c1-5-6(4-10)2-7(8)3-9-5/h2-3,5,9-10H,4H2,1H3
InChIKeyCLVKOMYKPVXIMX-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol?
The IUPAC name of (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol (CID 90434033) is (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol?
The canonical SMILES for (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol is CC1NC=C(F)C=C1CO.
What is the InChIKey of (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol?
The InChIKey is CLVKOMYKPVXIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5-6(4-10)2-7(8)3-9-5/h2-3,5,9-10H,4H2,1H3.
What are the key properties of (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol?
(5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol has a molecular weight of 143.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol is sourced from PubChem (CID 90434033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).