3-bromo-N-(3-ethynylphenyl)pyridin-2-amine

C13H9BrN2 — CID 61374877

IUPAC3-bromo-N-(3-ethynylphenyl)pyridin-2-amine
SMILESC#Cc1cccc(Nc2ncccc2Br)c1
InChIInChI=1S/C13H9BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h1,3-9H,(H,15,16)
InChIKeyPCZHNXFKLBYVSV-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.57
Rot. Bonds2

About 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine

3-bromo-N-(3-ethynylphenyl)pyridin-2-amine (PubChem CID 61374877) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-ethynylphenyl)pyridin-2-amine
PubChem CID61374877
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name3-bromo-N-(3-ethynylphenyl)pyridin-2-amine
SMILESC#Cc1cccc(Nc2ncccc2Br)c1
InChIInChI=1S/C13H9BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h1,3-9H,(H,15,16)
InChIKeyPCZHNXFKLBYVSV-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490
3-bromo-N-(4-bromo-3-fluorophenyl)pyridin-2-amine
CID 65437020
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
9-chloro-N-(3-ethynylphenyl)benzo[c][1,8]naphthyridin-6-amine
CID 58167981
3-bromo-4-(3-ethynylanilino)benzonitrile
CID 82797861
3-ethynyl-N-tris(3-ethynylanilino)silylaniline
CID 141475139
4-(3-ethynylanilino)quinazoline-6,7-diol
CID 135610917
N-(3-ethynylphenyl)-6,7-dihydroquinazolin-4-amine
CID 91068757
3-bromo-N-thiophen-3-ylpyridin-2-amine
CID 66353988
5-[(3-bromo-2-pyridinyl)amino]isoindole-1,3-dione
CID 61374663
3-bromo-N-(2,3-dichlorophenyl)pyridin-2-amine
CID 63462335
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
CID 103481300

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine (CID 61374877) is 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine is C#Cc1cccc(Nc2ncccc2Br)c1.
What is the InChIKey of 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine?
The InChIKey is PCZHNXFKLBYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h1,3-9H,(H,15,16).
What are the key properties of 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine?
3-bromo-N-(3-ethynylphenyl)pyridin-2-amine has a molecular weight of 273.13 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethynylphenyl)pyridin-2-amine is sourced from PubChem (CID 61374877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).