5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

C13H10BrClN4S — CID 103930517

IUPAC5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESClc1ncc(NCc2cn[nH]c2-c2cccs2)cc1Br
InChIInChI=1S/C13H10BrClN4S/c14-10-4-9(7-17-13(10)15)16-5-8-6-18-19-12(8)11-2-1-3-20-11/h1-4,6-7,16H,5H2,(H,18,19)
InChIKeyFKBAHSWFCUATRV-UHFFFAOYSA-N
MW369.68 g/mol
LogP4.56
Rot. Bonds4

About 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 103930517) has the molecular formula C13H10BrClN4S and a molecular weight of 369.68 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID103930517
Molecular FormulaC13H10BrClN4S
Molecular Weight369.68 g/mol
Exact Mass367.95
IUPAC Name5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESClc1ncc(NCc2cn[nH]c2-c2cccs2)cc1Br
InChIInChI=1S/C13H10BrClN4S/c14-10-4-9(7-17-13(10)15)16-5-8-6-18-19-12(8)11-2-1-3-20-11/h1-4,6-7,16H,5H2,(H,18,19)
InChIKeyFKBAHSWFCUATRV-UHFFFAOYSA-N
XLogP4.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-chloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 107610739
3,4,5-trifluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 62809140
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
2,6-dichloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 83078504
4-chloro-2-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785115
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 78885801
4-bromo-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43758839
4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 83166919
4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43764924
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233196
2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43757837
2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 79041980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (CID 103930517) is 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is Clc1ncc(NCc2cn[nH]c2-c2cccs2)cc1Br.
What is the InChIKey of 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is FKBAHSWFCUATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4S/c14-10-4-9(7-17-13(10)15)16-5-8-6-18-19-12(8)11-2-1-3-20-11/h1-4,6-7,16H,5H2,(H,18,19).
What are the key properties of 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 369.68 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 103930517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).