3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide

C12H17BrN2O2 — CID 107843919

IUPAC3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
SMILESO=C(NCCCCCCO)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O2/c13-10-6-5-8-14-11(10)12(17)15-7-3-1-2-4-9-16/h5-6,8,16H,1-4,7,9H2,(H,15,17)
InChIKeyMDBDPBWMNZLSEF-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.13
Rot. Bonds7

About 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide

3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide (PubChem CID 107843919) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
PubChem CID107843919
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
SMILESO=C(NCCCCCCO)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O2/c13-10-6-5-8-14-11(10)12(17)15-7-3-1-2-4-9-16/h5-6,8,16H,1-4,7,9H2,(H,15,17)
InChIKeyMDBDPBWMNZLSEF-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide (CID 107843919) is 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide is O=C(NCCCCCCO)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide?
The InChIKey is MDBDPBWMNZLSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-10-6-5-8-14-11(10)12(17)15-7-3-1-2-4-9-16/h5-6,8,16H,1-4,7,9H2,(H,15,17).
What are the key properties of 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide?
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide is sourced from PubChem (CID 107843919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).