N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide

C10H13BrN2O3 — CID 170831115

IUPACN-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-6(14)13-5-9(15)10(16)7-2-8(11)4-12-3-7/h2-4,9-10,15-16H,5H2,1H3,(H,13,14)
InChIKeyCEVCOKNCQIDTNA-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.37
Rot. Bonds4

About N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide

N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170831115) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170831115
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC NameN-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-6(14)13-5-9(15)10(16)7-2-8(11)4-12-3-7/h2-4,9-10,15-16H,5H2,1H3,(H,13,14)
InChIKeyCEVCOKNCQIDTNA-UHFFFAOYSA-N
XLogP0.37
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
CID 170831077
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700
4-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide
CID 170829461
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide
CID 170830236
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide (CID 170831115) is N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cncc(Br)c1.
What is the InChIKey of N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is CEVCOKNCQIDTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-6(14)13-5-9(15)10(16)7-2-8(11)4-12-3-7/h2-4,9-10,15-16H,5H2,1H3,(H,13,14).
What are the key properties of N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 289.13 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).