2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile

C10H10BrN3 — CID 114893877

IUPAC2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1NC1CC1N
InChIInChI=1S/C10H10BrN3/c11-7-1-2-9(6(3-7)5-12)14-10-4-8(10)13/h1-3,8,10,14H,4,13H2
InChIKeyLNOJXVFHUCIUQS-UHFFFAOYSA-N
MW252.12 g/mol
LogP1.83
Rot. Bonds2

About 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile

2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile (PubChem CID 114893877) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile.

Molecular Properties

Compound Name2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile
PubChem CID114893877
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1NC1CC1N
InChIInChI=1S/C10H10BrN3/c11-7-1-2-9(6(3-7)5-12)14-10-4-8(10)13/h1-3,8,10,14H,4,13H2
InChIKeyLNOJXVFHUCIUQS-UHFFFAOYSA-N
XLogP1.83
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile
CID 82707820
5-bromo-2-[(2,2-dimethylcyclopropyl)amino]benzonitrile
CID 114890613
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-bromobenzonitrile
CID 102738833
5-bromo-2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 82708321
2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile
CID 62307820
cis-(1R,2S)-2-(4-bromo-2-cyanoanilino)-N-methylcyclopentane-1-carboxamide
CID 129358528
5-bromo-2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzonitrile
CID 82692143
5-bromo-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817827
5-bromo-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
CID 82692709
5-bromo-2-[(4,4-dimethylcycloheptyl)amino]benzonitrile
CID 82708566
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
(4-bromo-2-cyanophenyl)urea
CID 82708837

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile?
The IUPAC name of 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile (CID 114893877) is 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile.
What is the SMILES notation for 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile?
The canonical SMILES for 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile is N#Cc1cc(Br)ccc1NC1CC1N.
What is the InChIKey of 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile?
The InChIKey is LNOJXVFHUCIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-7-1-2-9(6(3-7)5-12)14-10-4-8(10)13/h1-3,8,10,14H,4,13H2.
What are the key properties of 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile?
2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile has a molecular weight of 252.12 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile is sourced from PubChem (CID 114893877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).