2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole

C7H3Cl2N3S — CID 135396419

IUPAC2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole
SMILESClc1nnc(-c2cccnc2Cl)s1
InChIInChI=1S/C7H3Cl2N3S/c8-5-4(2-1-3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyCGVKJUAOQNTPIJ-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.91
Rot. Bonds1

About 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole

2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole (PubChem CID 135396419) has the molecular formula C7H3Cl2N3S and a molecular weight of 232.10 g/mol. Its IUPAC name is 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole
PubChem CID135396419
Molecular FormulaC7H3Cl2N3S
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole
SMILESClc1nnc(-c2cccnc2Cl)s1
InChIInChI=1S/C7H3Cl2N3S/c8-5-4(2-1-3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyCGVKJUAOQNTPIJ-UHFFFAOYSA-N
XLogP2.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347506
2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
CID 97058354
2-chloro-5-(2,5-difluorophenyl)-1,3,4-thiadiazole
CID 63385959
2-chloro-3-(2-fluorophenyl)pyridine
CID 46312040
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
CID 14091186
6-(2-chloro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103123
2-(2-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole
CID 135396931
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole
CID 63383673
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
azane;2,3-dichloropyridine
CID 174689212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole (CID 135396419) is 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole is Clc1nnc(-c2cccnc2Cl)s1.
What is the InChIKey of 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is CGVKJUAOQNTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3S/c8-5-4(2-1-3-10-5)6-11-12-7(9)13-6/h1-3H.
What are the key properties of 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole?
2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 232.10 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 135396419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).