2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine

C10H7Br2ClN2O — CID 62086085

IUPAC2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
SMILESClc1ncccc1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C10H7Br2ClN2O/c11-7-4-6(16-9(7)12)5-15-8-2-1-3-14-10(8)13/h1-4,15H,5H2
InChIKeyBUOZNUYQMVPSKY-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.47
Rot. Bonds3

About 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine

2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine (PubChem CID 62086085) has the molecular formula C10H7Br2ClN2O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
PubChem CID62086085
Molecular FormulaC10H7Br2ClN2O
Molecular Weight366.44 g/mol
Exact Mass363.86
IUPAC Name2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
SMILESClc1ncccc1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C10H7Br2ClN2O/c11-7-4-6(16-9(7)12)5-15-8-2-1-3-14-10(8)13/h1-4,15H,5H2
InChIKeyBUOZNUYQMVPSKY-UHFFFAOYSA-N
XLogP4.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.47
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

N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 62085914
2-chloro-N-(furan-2-ylmethyl)pyridin-3-amine
CID 43689872
3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63421913
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63423425
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
2-bromo-6-[[(2-chloro-3-pyridinyl)amino]methyl]phenol
CID 61390833
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
CID 43689958
4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 62086062
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
2,4,6-trichloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 63425788
N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine
CID 62084497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine (CID 62086085) is 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine is Clc1ncccc1NCc1cc(Br)c(Br)o1.
What is the InChIKey of 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine?
The InChIKey is BUOZNUYQMVPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2ClN2O/c11-7-4-6(16-9(7)12)5-15-8-2-1-3-14-10(8)13/h1-4,15H,5H2.
What are the key properties of 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine?
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine has a molecular weight of 366.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 62086085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).