2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

C8H5ClFN3S — CID 169247440

IUPAC2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cnc(Cl)cc2F)s1
InChIInChI=1S/C8H5ClFN3S/c1-4-12-13-8(14-4)5-3-11-7(9)2-6(5)10/h2-3H,1H3
InChIKeyUJBUONXPBCEJFD-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.70
Rot. Bonds1

About 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 169247440) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
PubChem CID169247440
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cnc(Cl)cc2F)s1
InChIInChI=1S/C8H5ClFN3S/c1-4-12-13-8(14-4)5-3-11-7(9)2-6(5)10/h2-3H,1H3
InChIKeyUJBUONXPBCEJFD-UHFFFAOYSA-N
XLogP2.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.70
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

4-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyridine
CID 2731956
3-(5-Bromo-1,3,4-thiadiazol-2-yl)pyridine
CID 42281993
2-(Difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole
CID 19870491
4-Chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazole
CID 83157866
4-Chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole
CID 118370294
2-(3-Fluoropyridin-4-yl)-5-methyl-1,3,4-thiadiazole
CID 118450761
4-Chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 123250197
4-Chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 123551266
2-[5-(Trifluoromethyl)pyridin-3-yl]-1,3,4-thiadiazole
CID 126722070
2-(5-Fluoropyridin-3-yl)-5-methyl-1,3,4-thiadiazole
CID 135397349
2-(6-Chloro-5-fluoro-3-pyridinyl)-1,3-thiazole
CID 157022534
2-Chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
CID 167426567

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (CID 169247440) is 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2cnc(Cl)cc2F)s1.
What is the InChIKey of 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is UJBUONXPBCEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c1-4-12-13-8(14-4)5-3-11-7(9)2-6(5)10/h2-3H,1H3.
What are the key properties of 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 229.67 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 169247440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).