2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine

C11H13BrN4 — CID 104819748

IUPAC2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine
SMILESCCn1nccc1CNc1cccnc1Br
InChIInChI=1S/C11H13BrN4/c1-2-16-9(5-7-15-16)8-14-10-4-3-6-13-11(10)12/h3-7,14H,2,8H2,1H3
InChIKeyFRYKZGMVCIBQSL-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.67
Rot. Bonds4

About 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine

2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine (PubChem CID 104819748) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine
PubChem CID104819748
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine
SMILESCCn1nccc1CNc1cccnc1Br
InChIInChI=1S/C11H13BrN4/c1-2-16-9(5-7-15-16)8-14-10-4-3-6-13-11(10)12/h3-7,14H,2,8H2,1H3
InChIKeyFRYKZGMVCIBQSL-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine (CID 104819748) is 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine is CCn1nccc1CNc1cccnc1Br.
What is the InChIKey of 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine?
The InChIKey is FRYKZGMVCIBQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-2-16-9(5-7-15-16)8-14-10-4-3-6-13-11(10)12/h3-7,14H,2,8H2,1H3.
What are the key properties of 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine?
2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine has a molecular weight of 281.16 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104819748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).