N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide

C10H12BrFN2O3 — CID 170831474

IUPACN-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(Br)ncc1F
InChIInChI=1S/C10H12BrFN2O3/c1-5(15)13-4-8(16)10(17)6-2-9(11)14-3-7(6)12/h2-3,8,10,16-17H,4H2,1H3,(H,13,15)
InChIKeySXCWGIVZZPIROI-UHFFFAOYSA-N
MW307.12 g/mol
LogP0.51
Rot. Bonds4

About N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide

N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170831474) has the molecular formula C10H12BrFN2O3 and a molecular weight of 307.12 g/mol. Its IUPAC name is N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170831474
Molecular FormulaC10H12BrFN2O3
Molecular Weight307.12 g/mol
Exact Mass306.00
IUPAC NameN-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(Br)ncc1F
InChIInChI=1S/C10H12BrFN2O3/c1-5(15)13-4-8(16)10(17)6-2-9(11)14-3-7(6)12/h2-3,8,10,16-17H,4H2,1H3,(H,13,15)
InChIKeySXCWGIVZZPIROI-UHFFFAOYSA-N
XLogP0.51
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125
4-(3-acetamido-1,2-dihydroxypropyl)-2,5-difluorobenzoic acid
CID 170830635
N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830162
5-(3-acetamido-1,2-dihydroxypropyl)-2-amino-4-fluorobenzoic acid
CID 170830723
N-[3-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829808
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830081
4-(3-acetamido-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170830634
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide (CID 170831474) is N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(Br)ncc1F.
What is the InChIKey of N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is SXCWGIVZZPIROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3/c1-5(15)13-4-8(16)10(17)6-2-9(11)14-3-7(6)12/h2-3,8,10,16-17H,4H2,1H3,(H,13,15).
What are the key properties of N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 307.12 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).