3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine

C12H6Cl4F3N7 — CID 153366779

IUPAC3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1nnn(Cc2cc(C(Cl)(Cl)Cl)n(-c3ncccc3Cl)n2)n1
InChIInChI=1S/C12H6Cl4F3N7/c13-7-2-1-3-20-9(7)26-8(11(14,15)16)4-6(22-26)5-25-23-10(21-24-25)12(17,18)19/h1-4H,5H2
InChIKeyLKTIFGNNHYYJAX-UHFFFAOYSA-N
MW447.04 g/mol
LogP3.80
Rot. Bonds3

About 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine

3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine (PubChem CID 153366779) has the molecular formula C12H6Cl4F3N7 and a molecular weight of 447.04 g/mol. Its IUPAC name is 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine
PubChem CID153366779
Molecular FormulaC12H6Cl4F3N7
Molecular Weight447.04 g/mol
Exact Mass444.94
IUPAC Name3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1nnn(Cc2cc(C(Cl)(Cl)Cl)n(-c3ncccc3Cl)n2)n1
InChIInChI=1S/C12H6Cl4F3N7/c13-7-2-1-3-20-9(7)26-8(11(14,15)16)4-6(22-26)5-25-23-10(21-24-25)12(17,18)19/h1-4H,5H2
InChIKeyLKTIFGNNHYYJAX-UHFFFAOYSA-N
XLogP3.80
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.04
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxylic acid
CID 67289880
3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)-1,3-dihydrotetrazol-2-yl]methyl]pyrazol-1-yl]pyridine
CID 153366798
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 59530115
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 56599517
1-(3-chloro-2-pyridinyl)-N-[4-fluoro-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58066416
1-(3-chloro-2-pyridinyl)-N-[4-iodo-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58066411
1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58559399
1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4,6-dimethylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 59530408
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(oxetan-3-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 88565650
N-[4-chloro-2-[(2-chlorophenyl)methylcarbamoyl]-6-fluorophenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 118402634
N-[4-bromo-2-methyl-6-(prop-1-en-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 89017565
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 59530325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine (CID 153366779) is 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine is FC(F)(F)c1nnn(Cc2cc(C(Cl)(Cl)Cl)n(-c3ncccc3Cl)n2)n1.
What is the InChIKey of 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine?
The InChIKey is LKTIFGNNHYYJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4F3N7/c13-7-2-1-3-20-9(7)26-8(11(14,15)16)4-6(22-26)5-25-23-10(21-24-25)12(17,18)19/h1-4H,5H2.
What are the key properties of 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine?
3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine has a molecular weight of 447.04 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[5-(trichloromethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-1-yl]pyridine is sourced from PubChem (CID 153366779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).