5-bromo-3-pent-4-ynoxypyridin-2-amine

C10H11BrN2O — CID 168886875

IUPAC5-bromo-3-pent-4-ynoxypyridin-2-amine
SMILESC#CCCCOc1cc(Br)cnc1N
InChIInChI=1S/C10H11BrN2O/c1-2-3-4-5-14-9-6-8(11)7-13-10(9)12/h1,6-7H,3-5H2,(H2,12,13)
InChIKeyYJFYTRWTAJVCLM-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.22
Rot. Bonds4

About 5-bromo-3-pent-4-ynoxypyridin-2-amine

5-bromo-3-pent-4-ynoxypyridin-2-amine (PubChem CID 168886875) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-3-pent-4-ynoxypyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-pent-4-ynoxypyridin-2-amine
PubChem CID168886875
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-3-pent-4-ynoxypyridin-2-amine
SMILESC#CCCCOc1cc(Br)cnc1N
InChIInChI=1S/C10H11BrN2O/c1-2-3-4-5-14-9-6-8(11)7-13-10(9)12/h1,6-7H,3-5H2,(H2,12,13)
InChIKeyYJFYTRWTAJVCLM-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-pent-4-ynoxybenzonitrile
CID 112548329
5-bromo-1,2-difluoro-3-pent-4-ynoxybenzene
CID 107098739
5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine
CID 90205672
(2-amino-5-bromo-3-pyridinyl) formate
CID 121338216
5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine
CID 161139910
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
5-bromo-1-but-3-ynoxy-2,3-difluorobenzene
CID 107098780
5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
CID 164859806
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
2-bromo-3-but-3-ynoxy-5-chloropyridine
CID 130743994
5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine
CID 21111485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pent-4-ynoxypyridin-2-amine?
The IUPAC name of 5-bromo-3-pent-4-ynoxypyridin-2-amine (CID 168886875) is 5-bromo-3-pent-4-ynoxypyridin-2-amine.
What is the SMILES notation for 5-bromo-3-pent-4-ynoxypyridin-2-amine?
The canonical SMILES for 5-bromo-3-pent-4-ynoxypyridin-2-amine is C#CCCCOc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-pent-4-ynoxypyridin-2-amine?
The InChIKey is YJFYTRWTAJVCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-3-4-5-14-9-6-8(11)7-13-10(9)12/h1,6-7H,3-5H2,(H2,12,13).
What are the key properties of 5-bromo-3-pent-4-ynoxypyridin-2-amine?
5-bromo-3-pent-4-ynoxypyridin-2-amine has a molecular weight of 255.11 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pent-4-ynoxypyridin-2-amine is sourced from PubChem (CID 168886875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).