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

C10H15BrN2O2 — CID 75374188

IUPAC1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-2-15-7-10(14)6-13-9-3-8(11)4-12-5-9/h3-5,10,13-14H,2,6-7H2,1H3
InChIKeyBQYBQRDRTZVWGV-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.65
Rot. Bonds6

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

1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol (PubChem CID 75374188) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol
PubChem CID75374188
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-2-15-7-10(14)6-13-9-3-8(11)4-12-5-9/h3-5,10,13-14H,2,6-7H2,1H3
InChIKeyBQYBQRDRTZVWGV-UHFFFAOYSA-N
XLogP1.65
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.65
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-pyridinyl)amino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol (CID 75374188) is 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol is CCOCC(O)CNc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol?
The InChIKey is BQYBQRDRTZVWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-2-15-7-10(14)6-13-9-3-8(11)4-12-5-9/h3-5,10,13-14H,2,6-7H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol?
1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol has a molecular weight of 275.15 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 75374188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).