5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine

C11H12BrClN4 — CID 114051921

IUPAC5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cc(Br)cnc1Cl)c1ccnn1C
InChIInChI=1S/C11H12BrClN4/c1-7(10-3-4-15-17(10)2)16-9-5-8(12)6-14-11(9)13/h3-7,16H,1-2H3
InChIKeyQCJITXYCDCRTLU-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.40
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine

5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine (PubChem CID 114051921) has the molecular formula C11H12BrClN4 and a molecular weight of 315.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
PubChem CID114051921
Molecular FormulaC11H12BrClN4
Molecular Weight315.60 g/mol
Exact Mass313.99
IUPAC Name5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cc(Br)cnc1Cl)c1ccnn1C
InChIInChI=1S/C11H12BrClN4/c1-7(10-3-4-15-17(10)2)16-9-5-8(12)6-14-11(9)13/h3-7,16H,1-2H3
InChIKeyQCJITXYCDCRTLU-UHFFFAOYSA-N
XLogP3.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.40
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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Related Compounds

2,5-dibromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757432
4-bromo-2,3-dichloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107787459
2-bromo-5-chloro-4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106758070
2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 114052002
4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756876
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114049325
2-bromo-5-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757879
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
3-chloro-4-[1-(2-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 107807141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine (CID 114051921) is 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine is CC(Nc1cc(Br)cnc1Cl)c1ccnn1C.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The InChIKey is QCJITXYCDCRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4/c1-7(10-3-4-15-17(10)2)16-9-5-8(12)6-14-11(9)13/h3-7,16H,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine has a molecular weight of 315.60 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 114051921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).