2-(3-bromoanilino)pyridine-4-carbothioamide

C12H10BrN3S — CID 24708483

IUPAC2-(3-bromoanilino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C12H10BrN3S/c13-9-2-1-3-10(7-9)16-11-6-8(12(14)17)4-5-15-11/h1-7H,(H2,14,17)(H,15,16)
InChIKeyBUGPFRWZMQHRFW-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-bromoanilino)pyridine-4-carbothioamide

2-(3-bromoanilino)pyridine-4-carbothioamide (PubChem CID 24708483) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(3-bromoanilino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(3-bromoanilino)pyridine-4-carbothioamide
PubChem CID24708483
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name2-(3-bromoanilino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C12H10BrN3S/c13-9-2-1-3-10(7-9)16-11-6-8(12(14)17)4-5-15-11/h1-7H,(H2,14,17)(H,15,16)
InChIKeyBUGPFRWZMQHRFW-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromoanilino)pyridine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-fluoroanilino)pyridine-4-carbothioamide
CID 65437746
2-(3-bromo-4-iodoanilino)pyridine-4-carbothioamide
CID 114262123
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209
[2-(3-bromoanilino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109168528
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
CID 43617135
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)pyridine-4-carbothioamide?
The IUPAC name of 2-(3-bromoanilino)pyridine-4-carbothioamide (CID 24708483) is 2-(3-bromoanilino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(3-bromoanilino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(3-bromoanilino)pyridine-4-carbothioamide is NC(=S)c1ccnc(Nc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromoanilino)pyridine-4-carbothioamide?
The InChIKey is BUGPFRWZMQHRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-9-2-1-3-10(7-9)16-11-6-8(12(14)17)4-5-15-11/h1-7H,(H2,14,17)(H,15,16).
What are the key properties of 2-(3-bromoanilino)pyridine-4-carbothioamide?
2-(3-bromoanilino)pyridine-4-carbothioamide has a molecular weight of 308.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)pyridine-4-carbothioamide is sourced from PubChem (CID 24708483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).