5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine

C12H12BrN3 — CID 60904047

IUPAC5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESBrc1ccc(NCCc2ccncc2)nc1
InChIInChI=1S/C12H12BrN3/c13-11-1-2-12(16-9-11)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)
InChIKeyXCFUCVYVJOOETI-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.89
Rot. Bonds4

About 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine

5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine (PubChem CID 60904047) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
PubChem CID60904047
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESBrc1ccc(NCCc2ccncc2)nc1
InChIInChI=1S/C12H12BrN3/c13-11-1-2-12(16-9-11)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)
InChIKeyXCFUCVYVJOOETI-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 75421859
N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 110257850
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330454
5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146816
4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
CID 126470343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine (CID 60904047) is 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine is Brc1ccc(NCCc2ccncc2)nc1.
What is the InChIKey of 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The InChIKey is XCFUCVYVJOOETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-11-1-2-12(16-9-11)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16).
What are the key properties of 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 60904047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).