(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone

C13H17BrN2O — CID 107517939

IUPAC(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C13H17BrN2O/c1-2-10-5-4-8-16(9-10)13(17)12-11(14)6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyYTPILLZFMDATJV-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.11
Rot. Bonds2

About (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone

(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (PubChem CID 107517939) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
PubChem CID107517939
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C13H17BrN2O/c1-2-10-5-4-8-16(9-10)13(17)12-11(14)6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyYTPILLZFMDATJV-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 107517164
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 107525417
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
(E)-3-[2-(3-ethylpyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 107526016
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (CID 107517939) is (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2ncccc2Br)C1.
What is the InChIKey of (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is YTPILLZFMDATJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-2-10-5-4-8-16(9-10)13(17)12-11(14)6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 297.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107517939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).