3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C13H10Cl3FN2 — CID 18684541

IUPAC3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFc1cc(Cl)ccc1-c1nn2c(c1Cl)CCCC2Cl
InChIInChI=1S/C13H10Cl3FN2/c14-7-4-5-8(9(17)6-7)13-12(16)10-2-1-3-11(15)19(10)18-13/h4-6,11H,1-3H2
InChIKeyAILQEDDFVAROAW-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.07
Rot. Bonds1

About 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 18684541) has the molecular formula C13H10Cl3FN2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID18684541
Molecular FormulaC13H10Cl3FN2
Molecular Weight319.59 g/mol
Exact Mass317.99
IUPAC Name3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFc1cc(Cl)ccc1-c1nn2c(c1Cl)CCCC2Cl
InChIInChI=1S/C13H10Cl3FN2/c14-7-4-5-8(9(17)6-7)13-12(16)10-2-1-3-11(15)19(10)18-13/h4-6,11H,1-3H2
InChIKeyAILQEDDFVAROAW-UHFFFAOYSA-N
XLogP5.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 117063312
5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 114859800
[3-(4-chloro-2-fluorophenyl)-1-methylpyrazol-4-yl]boronic acid
CID 71017394
5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole
CID 178043547
2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol
CID 15456859
5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
CID 114859682
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
3-(4-chloro-2-fluorophenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole
CID 18791016
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
2-(4-chloro-2-fluorophenyl)pyridin-3-ol
CID 83130990
1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone
CID 22625616
4-chloro-2-fluorophenolate
CID 154609677

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 18684541) is 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Fc1cc(Cl)ccc1-c1nn2c(c1Cl)CCCC2Cl.
What is the InChIKey of 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is AILQEDDFVAROAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3FN2/c14-7-4-5-8(9(17)6-7)13-12(16)10-2-1-3-11(15)19(10)18-13/h4-6,11H,1-3H2.
What are the key properties of 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 319.59 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 18684541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).