2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine

C10H7ClF3N5S — CID 102716303

IUPAC2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Sc2nnnn2C2CC2)c1
InChIInChI=1S/C10H7ClF3N5S/c11-7-3-5(10(12,13)14)4-8(15-7)20-9-16-17-18-19(9)6-1-2-6/h3-4,6H,1-2H2
InChIKeyFXAWQUGUUGOFIY-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine

2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine (PubChem CID 102716303) has the molecular formula C10H7ClF3N5S and a molecular weight of 321.72 g/mol. Its IUPAC name is 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
PubChem CID102716303
Molecular FormulaC10H7ClF3N5S
Molecular Weight321.72 g/mol
Exact Mass321.01
IUPAC Name2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Sc2nnnn2C2CC2)c1
InChIInChI=1S/C10H7ClF3N5S/c11-7-3-5(10(12,13)14)4-8(15-7)20-9-16-17-18-19(9)6-1-2-6/h3-4,6H,1-2H2
InChIKeyFXAWQUGUUGOFIY-UHFFFAOYSA-N
XLogP3.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80893103
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methylpyridine-4-carbonitrile
CID 114769426
2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716318
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017
2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716297
6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid
CID 62240584
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
1-cyclopentyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 52520611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine (CID 102716303) is 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(Sc2nnnn2C2CC2)c1.
What is the InChIKey of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine?
The InChIKey is FXAWQUGUUGOFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5S/c11-7-3-5(10(12,13)14)4-8(15-7)20-9-16-17-18-19(9)6-1-2-6/h3-4,6H,1-2H2.
What are the key properties of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine?
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine has a molecular weight of 321.72 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).