3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide

C10H14BrClN4 — CID 103582333

IUPAC3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN4/c1-2-16(4-3-9(13)14)10-8(12)5-7(11)6-15-10/h5-6H,2-4H2,1H3,(H3,13,14)
InChIKeyJFJJXMGXKQUTCY-UHFFFAOYSA-N
MW305.61 g/mol
LogP2.65
Rot. Bonds5

About 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide

3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide (PubChem CID 103582333) has the molecular formula C10H14BrClN4 and a molecular weight of 305.61 g/mol. Its IUPAC name is 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide.

Molecular Properties

Compound Name3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide
PubChem CID103582333
Molecular FormulaC10H14BrClN4
Molecular Weight305.61 g/mol
Exact Mass304.01
IUPAC Name3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN4/c1-2-16(4-3-9(13)14)10-8(12)5-7(11)6-15-10/h5-6H,2-4H2,1H3,(H3,13,14)
InChIKeyJFJJXMGXKQUTCY-UHFFFAOYSA-N
XLogP2.65
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.61
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide?
The IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide (CID 103582333) is 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide.
What is the SMILES notation for 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide?
The canonical SMILES for 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide is [H]/N=C(\N)CCN(CC)c1ncc(Br)cc1Cl.
What is the InChIKey of 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide?
The InChIKey is JFJJXMGXKQUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN4/c1-2-16(4-3-9(13)14)10-8(12)5-7(11)6-15-10/h5-6H,2-4H2,1H3,(H3,13,14).
What are the key properties of 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide?
3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide has a molecular weight of 305.61 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide is sourced from PubChem (CID 103582333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).