3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine

C14H8Cl2F3N5 — CID 110208573

IUPAC3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(C(c2ccc(Cl)cc2)c2nn[nH]n2)c(Cl)c1
InChIInChI=1S/C14H8Cl2F3N5/c15-9-3-1-7(2-4-9)11(13-21-23-24-22-13)12-10(16)5-8(6-20-12)14(17,18)19/h1-6,11H,(H,21,22,23,24)
InChIKeyJRNWCFMXDJPHCI-UHFFFAOYSA-N
MW374.15 g/mol
LogP4.10
Rot. Bonds3

About 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine (PubChem CID 110208573) has the molecular formula C14H8Cl2F3N5 and a molecular weight of 374.15 g/mol. Its IUPAC name is 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
PubChem CID110208573
Molecular FormulaC14H8Cl2F3N5
Molecular Weight374.15 g/mol
Exact Mass373.01
IUPAC Name3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(C(c2ccc(Cl)cc2)c2nn[nH]n2)c(Cl)c1
InChIInChI=1S/C14H8Cl2F3N5/c15-9-3-1-7(2-4-9)11(13-21-23-24-22-13)12-10(16)5-8(6-20-12)14(17,18)19/h1-6,11H,(H,21,22,23,24)
InChIKeyJRNWCFMXDJPHCI-UHFFFAOYSA-N
XLogP4.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.15
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(4-nitrophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
CID 110208574
2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 170875466
3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146139841
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 3631017
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
CID 3758411
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine (CID 110208573) is 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(C(c2ccc(Cl)cc2)c2nn[nH]n2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is JRNWCFMXDJPHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3N5/c15-9-3-1-7(2-4-9)11(13-21-23-24-22-13)12-10(16)5-8(6-20-12)14(17,18)19/h1-6,11H,(H,21,22,23,24).
What are the key properties of 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 374.15 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 110208573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).