N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine

C15H15BrClN3 — CID 103582921

IUPACN-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine
SMILESNc1ccccc1CN(c1ncc(Br)cc1Cl)C1CC1
InChIInChI=1S/C15H15BrClN3/c16-11-7-13(17)15(19-8-11)20(12-5-6-12)9-10-3-1-2-4-14(10)18/h1-4,7-8,12H,5-6,9,18H2
InChIKeyQESWWSJCXQSUPK-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.25
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine

N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine (PubChem CID 103582921) has the molecular formula C15H15BrClN3 and a molecular weight of 352.66 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine
PubChem CID103582921
Molecular FormulaC15H15BrClN3
Molecular Weight352.66 g/mol
Exact Mass351.01
IUPAC NameN-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine
SMILESNc1ccccc1CN(c1ncc(Br)cc1Cl)C1CC1
InChIInChI=1S/C15H15BrClN3/c16-11-7-13(17)15(19-8-11)20(12-5-6-12)9-10-3-1-2-4-14(10)18/h1-4,7-8,12H,5-6,9,18H2
InChIKeyQESWWSJCXQSUPK-UHFFFAOYSA-N
XLogP4.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine (CID 103582921) is N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine is Nc1ccccc1CN(c1ncc(Br)cc1Cl)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine?
The InChIKey is QESWWSJCXQSUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3/c16-11-7-13(17)15(19-8-11)20(12-5-6-12)9-10-3-1-2-4-14(10)18/h1-4,7-8,12H,5-6,9,18H2.
What are the key properties of N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine?
N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine has a molecular weight of 352.66 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine is sourced from PubChem (CID 103582921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).