5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide

C9H11BrN2O3 — CID 124510748

IUPAC5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H](O)CO)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O3/c10-6-1-2-8(11-3-6)9(15)12-4-7(14)5-13/h1-3,7,13-14H,4-5H2,(H,12,15)/t7-/m0/s1
InChIKeyOZNINFZPNFTTLI-ZETCQYMHSA-N
MW275.10 g/mol
LogP-0.07
Rot. Bonds4

About 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide

5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide (PubChem CID 124510748) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
PubChem CID124510748
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H](O)CO)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O3/c10-6-1-2-8(11-3-6)9(15)12-4-7(14)5-13/h1-3,7,13-14H,4-5H2,(H,12,15)/t7-/m0/s1
InChIKeyOZNINFZPNFTTLI-ZETCQYMHSA-N
XLogP-0.07
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-(difluoromethoxy)-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 136588722
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide (CID 124510748) is 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide is O=C(NC[C@H](O)CO)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The InChIKey is OZNINFZPNFTTLI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-6-1-2-8(11-3-6)9(15)12-4-7(14)5-13/h1-3,7,13-14H,4-5H2,(H,12,15)/t7-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide has a molecular weight of 275.10 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide is sourced from PubChem (CID 124510748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).