[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone

C14H15BrClN3O2 — CID 62001197

IUPAC[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cc(Br)cnc1Cl)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H15BrClN3O2/c15-10-7-11(12(16)17-8-10)14(21)19-5-3-18(4-6-19)13(20)9-1-2-9/h7-9H,1-6H2
InChIKeyREULKQBZYREEQP-UHFFFAOYSA-N
MW372.65 g/mol
LogP2.19
Rot. Bonds2

About [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone

[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 62001197) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID62001197
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cc(Br)cnc1Cl)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H15BrClN3O2/c15-10-7-11(12(16)17-8-10)14(21)19-5-3-18(4-6-19)13(20)9-1-2-9/h7-9H,1-6H2
InChIKeyREULKQBZYREEQP-UHFFFAOYSA-N
XLogP2.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
CID 119054666
(5-bromo-2-chloro-3-pyridinyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697918
(5-bromo-2-chloro-3-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55217552
(5-bromo-2-chloro-3-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113415056
(5-bromo-2-chloro-3-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78990925
4-[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]benzamide
CID 86969186
2-[1-(5-bromo-2-chloropyridine-3-carbonyl)azetidin-3-yl]acetic acid
CID 114036802
(5-bromo-2-chloro-3-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855464
(3S,4S)-1-(5-bromo-2-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085436
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromo-2-chloro-3-pyridinyl)methanone
CID 94334915
(2,5-dibromo-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 74787778
methyl 1-(5-bromo-2-chloropyridine-3-carbonyl)piperidine-2-carboxylate
CID 62000438

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone (CID 62001197) is [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone is O=C(c1cc(Br)cnc1Cl)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is REULKQBZYREEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c15-10-7-11(12(16)17-8-10)14(21)19-5-3-18(4-6-19)13(20)9-1-2-9/h7-9H,1-6H2.
What are the key properties of [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 372.65 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 62001197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).