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

C10H15BrN2O2 — CID 106186160

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncc(Br)cc1C
InChIInChI=1S/C10H15BrN2O2/c1-7-3-8(11)4-12-10(7)13-9(5-14)6-15-2/h3-4,9,14H,5-6H2,1-2H3,(H,12,13)
InChIKeyNTWMHYUSHWOTQM-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.57
Rot. Bonds5

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

2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol (PubChem CID 106186160) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
PubChem CID106186160
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncc(Br)cc1C
InChIInChI=1S/C10H15BrN2O2/c1-7-3-8(11)4-12-10(7)13-9(5-14)6-15-2/h3-4,9,14H,5-6H2,1-2H3,(H,12,13)
InChIKeyNTWMHYUSHWOTQM-UHFFFAOYSA-N
XLogP1.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
CID 79718493
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198983
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 61229631
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
CID 113252097
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
CID 106186351
5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
CID 65047155

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol (CID 106186160) is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ncc(Br)cc1C.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The InChIKey is NTWMHYUSHWOTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7-3-8(11)4-12-10(7)13-9(5-14)6-15-2/h3-4,9,14H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol?
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol has a molecular weight of 275.15 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106186160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).