3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine

C9H9BrN2 — CID 104778581

IUPAC3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine
SMILESC#CCN(C)c1ccncc1Br
InChIInChI=1S/C9H9BrN2/c1-3-6-12(2)9-4-5-11-7-8(9)10/h1,4-5,7H,6H2,2H3
InChIKeyFSZHUPFMLIHTPK-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.91
Rot. Bonds2

About 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine

3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine (PubChem CID 104778581) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine
PubChem CID104778581
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine
SMILESC#CCN(C)c1ccncc1Br
InChIInChI=1S/C9H9BrN2/c1-3-6-12(2)9-4-5-11-7-8(9)10/h1,4-5,7H,6H2,2H3
InChIKeyFSZHUPFMLIHTPK-UHFFFAOYSA-N
XLogP1.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.91
H-Bond Donors ≤ 50
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-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572
3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
CID 104778478
2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
CID 104777752
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
CID 104778194
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-4-amine
CID 104778534
2-bromo-6-[methyl(prop-2-ynyl)amino]benzoic acid
CID 114888381
4-bromo-N,N-dimethylpyridin-3-amine
CID 23436877
2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104778072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine?
The IUPAC name of 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine (CID 104778581) is 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine?
The canonical SMILES for 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine is C#CCN(C)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine?
The InChIKey is FSZHUPFMLIHTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-3-6-12(2)9-4-5-11-7-8(9)10/h1,4-5,7H,6H2,2H3.
What are the key properties of 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine?
3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine has a molecular weight of 225.09 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine is sourced from PubChem (CID 104778581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).