N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine

C13H14BrN3 — CID 65378943

IUPACN-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H14BrN3/c14-11-4-1-5-12(7-11)17-13(8-15)10-3-2-6-16-9-10/h1-7,9,13,17H,8,15H2
InChIKeyBPVWZEBGVSOLQM-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.96
Rot. Bonds4

About N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine

N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 65378943) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
PubChem CID65378943
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H14BrN3/c14-11-4-1-5-12(7-11)17-13(8-15)10-3-2-6-16-9-10/h1-7,9,13,17H,8,15H2
InChIKeyBPVWZEBGVSOLQM-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
CID 54887346
2-(3-bromoanilino)-2-pyridin-3-ylacetic acid
CID 54890309
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
N-(3-bromophenyl)-1-isoquinolin-4-ylethane-1,2-diamine
CID 104504152
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
CID 82827586
1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
CID 65377477
N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129614

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine (CID 65378943) is N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine is NCC(Nc1cccc(Br)c1)c1cccnc1.
What is the InChIKey of N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is BPVWZEBGVSOLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-11-4-1-5-12(7-11)17-13(8-15)10-3-2-6-16-9-10/h1-7,9,13,17H,8,15H2.
What are the key properties of N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine?
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 292.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 65378943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).