3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

C11H16BrClN2O — CID 103582964

IUPAC3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ncc(Br)cc1Cl
InChIInChI=1S/C11H16BrClN2O/c1-8(2)15(4-3-5-16)11-10(13)6-9(12)7-14-11/h6-8,16H,3-5H2,1-2H3
InChIKeyFSYYFSIDPRNNAF-UHFFFAOYSA-N
MW307.62 g/mol
LogP3.09
Rot. Bonds5

About 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (PubChem CID 103582964) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
PubChem CID103582964
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ncc(Br)cc1Cl
InChIInChI=1S/C11H16BrClN2O/c1-8(2)15(4-3-5-16)11-10(13)6-9(12)7-14-11/h6-8,16H,3-5H2,1-2H3
InChIKeyFSYYFSIDPRNNAF-UHFFFAOYSA-N
XLogP3.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 103584128
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
CID 63446077
N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 103583744
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811125
1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 156539974
N-(2-bromoethyl)-3-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 80670303
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811126
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811547
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (CID 103582964) is 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1ncc(Br)cc1Cl.
What is the InChIKey of 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The InChIKey is FSYYFSIDPRNNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-8(2)15(4-3-5-16)11-10(13)6-9(12)7-14-11/h6-8,16H,3-5H2,1-2H3.
What are the key properties of 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol has a molecular weight of 307.62 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 103582964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).