5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine

C12H12BrClN2O — CID 114051949

IUPAC5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
SMILESCCC(Nc1cc(Br)cnc1Cl)c1ccco1
InChIInChI=1S/C12H12BrClN2O/c1-2-9(11-4-3-5-17-11)16-10-6-8(13)7-15-12(10)14/h3-7,9,16H,2H2,1H3
InChIKeyXWFLLUDLRYBCIL-UHFFFAOYSA-N
MW315.60 g/mol
LogP4.65
Rot. Bonds4

About 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine

5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine (PubChem CID 114051949) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
PubChem CID114051949
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
SMILESCCC(Nc1cc(Br)cnc1Cl)c1ccco1
InChIInChI=1S/C12H12BrClN2O/c1-2-9(11-4-3-5-17-11)16-10-6-8(13)7-15-12(10)14/h3-7,9,16H,2H2,1H3
InChIKeyXWFLLUDLRYBCIL-UHFFFAOYSA-N
XLogP4.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
5-bromo-2-chloro-N-ethylpyridin-3-amine
CID 59619948
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 114052002
3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
CID 82858067
3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62633988
N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
CID 63434581
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine (CID 114051949) is 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine is CCC(Nc1cc(Br)cnc1Cl)c1ccco1.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine?
The InChIKey is XWFLLUDLRYBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-2-9(11-4-3-5-17-11)16-10-6-8(13)7-15-12(10)14/h3-7,9,16H,2H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine?
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine has a molecular weight of 315.60 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine is sourced from PubChem (CID 114051949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).