2-(benzotriazol-1-yl)-6-chloropyridin-3-amine

C11H8ClN5 — CID 113317011

IUPAC2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1-n1nnc2ccccc21
InChIInChI=1S/C11H8ClN5/c12-10-6-5-7(13)11(14-10)17-9-4-2-1-3-8(9)15-16-17/h1-6H,13H2
InChIKeyMICDKKJMYIYBLJ-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.05
Rot. Bonds1

About 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine

2-(benzotriazol-1-yl)-6-chloropyridin-3-amine (PubChem CID 113317011) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
PubChem CID113317011
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1-n1nnc2ccccc21
InChIInChI=1S/C11H8ClN5/c12-10-6-5-7(13)11(14-10)17-9-4-2-1-3-8(9)15-16-17/h1-6H,13H2
InChIKeyMICDKKJMYIYBLJ-UHFFFAOYSA-N
XLogP2.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
1-(6-chloropyridazin-3-yl)benzotriazole
CID 43213118
3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine
CID 103079000
6-(benzotriazol-1-yl)-5-nitropyridin-2-amine
CID 80853759
1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760218
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
2-amino-5-(benzotriazol-1-yl)benzonitrile
CID 113324056
4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine?
The IUPAC name of 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine (CID 113317011) is 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine.
What is the SMILES notation for 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine?
The canonical SMILES for 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine is Nc1ccc(Cl)nc1-n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine?
The InChIKey is MICDKKJMYIYBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-10-6-5-7(13)11(14-10)17-9-4-2-1-3-8(9)15-16-17/h1-6H,13H2.
What are the key properties of 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine?
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine has a molecular weight of 245.67 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-6-chloropyridin-3-amine is sourced from PubChem (CID 113317011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).