6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide

C9H11BrN2O3 — CID 171859983

IUPAC6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C(O)C(O)CBr)n1
InChIInChI=1S/C9H11BrN2O3/c10-4-7(13)8(14)5-2-1-3-6(12-5)9(11)15/h1-3,7-8,13-14H,4H2,(H2,11,15)
InChIKeyUQRYOVXSKOZHOB-UHFFFAOYSA-N
MW275.10 g/mol
LogP-0.03
Rot. Bonds4

About 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide

6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide (PubChem CID 171859983) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide
PubChem CID171859983
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C(O)C(O)CBr)n1
InChIInChI=1S/C9H11BrN2O3/c10-4-7(13)8(14)5-2-1-3-6(12-5)9(11)15/h1-3,7-8,13-14H,4H2,(H2,11,15)
InChIKeyUQRYOVXSKOZHOB-UHFFFAOYSA-N
XLogP-0.03
TPSA96.44 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 ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

S-[3-(6-carbamoyl-2-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821935
ethyl 6-(4-bromo-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171892688
6-(1,2-dihydroxy-3-sulfanylpropyl)pyridine-2-carboxylic acid
CID 170819969
6-(bromomethyl)pyridine-2-carboxamide
CID 91240807
4-(6-ethoxycarbonyl-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878354
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
4-(3-bromo-1,2-dihydroxypropyl)benzamide
CID 171860109
3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
CID 171898958
6-(aminomethyl)pyridine-2-carboxamide;hydrochloride
CID 68864841
S-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875352
N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882517
4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
CID 171891478

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide (CID 171859983) is 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide is NC(=O)c1cccc(C(O)C(O)CBr)n1.
What is the InChIKey of 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide?
The InChIKey is UQRYOVXSKOZHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-4-7(13)8(14)5-2-1-3-6(12-5)9(11)15/h1-3,7-8,13-14H,4H2,(H2,11,15).
What are the key properties of 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide?
6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide has a molecular weight of 275.10 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 171859983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).