[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol

C10H15FN2O — CID 105383169

IUPAC[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol
SMILESCC(C)CNc1nccc(CO)c1F
InChIInChI=1S/C10H15FN2O/c1-7(2)5-13-10-9(11)8(6-14)3-4-12-10/h3-4,7,14H,5-6H2,1-2H3,(H,12,13)
InChIKeySLTANJHFQZIDOO-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.78
Rot. Bonds4

About [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol

[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol (PubChem CID 105383169) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol
PubChem CID105383169
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol
SMILESCC(C)CNc1nccc(CO)c1F
InChIInChI=1S/C10H15FN2O/c1-7(2)5-13-10-9(11)8(6-14)3-4-12-10/h3-4,7,14H,5-6H2,1-2H3,(H,12,13)
InChIKeySLTANJHFQZIDOO-UHFFFAOYSA-N
XLogP1.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol (CID 105383169) is [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol is CC(C)CNc1nccc(CO)c1F.
What is the InChIKey of [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol?
The InChIKey is SLTANJHFQZIDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(2)5-13-10-9(11)8(6-14)3-4-12-10/h3-4,7,14H,5-6H2,1-2H3,(H,12,13).
What are the key properties of [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol?
[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol has a molecular weight of 198.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol is sourced from PubChem (CID 105383169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).