(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone

C10H11BrN2O — CID 66715242

IUPAC(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncccc1Br)N1CCCC1
InChIInChI=1S/C10H11BrN2O/c11-8-4-3-5-12-9(8)10(14)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKeyJAIGSEAOSARTNO-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.08
Rot. Bonds1

About (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone

(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 66715242) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID66715242
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncccc1Br)N1CCCC1
InChIInChI=1S/C10H11BrN2O/c11-8-4-3-5-12-9(8)10(14)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKeyJAIGSEAOSARTNO-UHFFFAOYSA-N
XLogP2.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 107525417
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107517070
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]acetonitrile
CID 107517458
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
1-(3-bromopyridine-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 107517094
(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 107520321
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 107518487

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone (CID 66715242) is (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone is O=C(c1ncccc1Br)N1CCCC1.
What is the InChIKey of (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is JAIGSEAOSARTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-4-3-5-12-9(8)10(14)13-6-1-2-7-13/h3-5H,1-2,6-7H2.
What are the key properties of (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone?
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 255.11 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 66715242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).