2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile

C11H11BrN2O — CID 114881424

IUPAC2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile
SMILESN#Cc1c(Br)cccc1NC1(CO)CC1
InChIInChI=1S/C11H11BrN2O/c12-9-2-1-3-10(8(9)6-13)14-11(7-15)4-5-11/h1-3,14-15H,4-5,7H2
InChIKeyGNSBLUGPHGTDRV-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.26
Rot. Bonds3

About 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile

2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile (PubChem CID 114881424) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile
PubChem CID114881424
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile
SMILESN#Cc1c(Br)cccc1NC1(CO)CC1
InChIInChI=1S/C11H11BrN2O/c12-9-2-1-3-10(8(9)6-13)14-11(7-15)4-5-11/h1-3,14-15H,4-5,7H2
InChIKeyGNSBLUGPHGTDRV-UHFFFAOYSA-N
XLogP2.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[[(2R)-2-cyclopropyl-2-hydroxypropyl]amino]benzonitrile
CID 164634875
2-Bromo-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzonitrile
CID 105647222
2-Bromo-6-[(3,3-difluoro-2-hydroxypropyl)amino]benzonitrile
CID 105647420
4-Bromo-2-[(3,3-difluoro-2-hydroxypropyl)amino]benzonitrile
CID 105647659
2-Bromo-4-[(3,3-difluoro-2-hydroxypropyl)amino]benzonitrile
CID 105647800
2-Bromo-6-[2-(2,2-difluoroethoxy)ethylamino]benzonitrile
CID 105912248
2-Bromo-3-fluoro-4-[(1-hydroxy-3-methylpentan-3-yl)amino]benzonitrile
CID 106171685
4-Bromo-2-[(2,2-difluoro-3-hydroxypropyl)amino]benzonitrile
CID 106172145
2-Bromo-6-[(2,2-difluoro-3-hydroxypropyl)amino]benzonitrile
CID 106172227
2-Bromo-4-[(2,2-difluoro-3-hydroxypropyl)amino]benzonitrile
CID 106172235
2-Bromo-3-fluoro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]benzonitrile
CID 106186009
2-Bromo-3-fluoro-4-[[4-(hydroxymethyl)oxan-4-yl]amino]benzonitrile
CID 106299919

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
The IUPAC name of 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile (CID 114881424) is 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
The canonical SMILES for 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile is N#Cc1c(Br)cccc1NC1(CO)CC1.
What is the InChIKey of 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
The InChIKey is GNSBLUGPHGTDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-9-2-1-3-10(8(9)6-13)14-11(7-15)4-5-11/h1-3,14-15H,4-5,7H2.
What are the key properties of 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile has a molecular weight of 267.13 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile is sourced from PubChem (CID 114881424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).