1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol

C9H12BrFN2O2 — CID 104919061

IUPAC1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ncc(Br)cc1F
InChIInChI=1S/C9H12BrFN2O2/c1-15-5-7(14)4-13-9-8(11)2-6(10)3-12-9/h2-3,7,14H,4-5H2,1H3,(H,12,13)
InChIKeyHACAHOVZLZILOZ-UHFFFAOYSA-N
MW279.11 g/mol
LogP1.40
Rot. Bonds5

About 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol

1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol (PubChem CID 104919061) has the molecular formula C9H12BrFN2O2 and a molecular weight of 279.11 g/mol. Its IUPAC name is 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
PubChem CID104919061
Molecular FormulaC9H12BrFN2O2
Molecular Weight279.11 g/mol
Exact Mass278.01
IUPAC Name1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ncc(Br)cc1F
InChIInChI=1S/C9H12BrFN2O2/c1-15-5-7(14)4-13-9-8(11)2-6(10)3-12-9/h2-3,7,14H,4-5H2,1H3,(H,12,13)
InChIKeyHACAHOVZLZILOZ-UHFFFAOYSA-N
XLogP1.40
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol (CID 104919061) is 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1ncc(Br)cc1F.
What is the InChIKey of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The InChIKey is HACAHOVZLZILOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O2/c1-15-5-7(14)4-13-9-8(11)2-6(10)3-12-9/h2-3,7,14H,4-5H2,1H3,(H,12,13).
What are the key properties of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol has a molecular weight of 279.11 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 104919061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).