3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide

C11H15BrN2O2 — CID 107519370

IUPAC3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
SMILESCCC(O)CCNC(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-8(15)5-7-14-11(16)10-9(12)4-3-6-13-10/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyPQYFAFCCVFNPSJ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.73
Rot. Bonds5

About 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide

3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide (PubChem CID 107519370) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
PubChem CID107519370
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
SMILESCCC(O)CCNC(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-8(15)5-7-14-11(16)10-9(12)4-3-6-13-10/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyPQYFAFCCVFNPSJ-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-hexan-3-ylpyridine-2-carboxamide
CID 107518890
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide (CID 107519370) is 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide is CCC(O)CCNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
The InChIKey is PQYFAFCCVFNPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-8(15)5-7-14-11(16)10-9(12)4-3-6-13-10/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).