3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine

C13H9ClN4 — CID 174760347

IUPAC3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine
SMILESClc1cnn(-c2cccnc2)c1-c1cccnc1
InChIInChI=1S/C13H9ClN4/c14-12-9-17-18(11-4-2-6-16-8-11)13(12)10-3-1-5-15-7-10/h1-9H
InChIKeyOWSMIMTUAXQWAN-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine

3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine (PubChem CID 174760347) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine
PubChem CID174760347
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine
SMILESClc1cnn(-c2cccnc2)c1-c1cccnc1
InChIInChI=1S/C13H9ClN4/c14-12-9-17-18(11-4-2-6-16-8-11)13(12)10-3-1-5-15-7-10/h1-9H
InChIKeyOWSMIMTUAXQWAN-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine
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3-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
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3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
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3-chloro-2-pyridin-3-ylindazole
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1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine
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(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid
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3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine
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3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
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3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine?
The IUPAC name of 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine (CID 174760347) is 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine.
What is the SMILES notation for 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine?
The canonical SMILES for 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine is Clc1cnn(-c2cccnc2)c1-c1cccnc1.
What is the InChIKey of 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine?
The InChIKey is OWSMIMTUAXQWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-12-9-17-18(11-4-2-6-16-8-11)13(12)10-3-1-5-15-7-10/h1-9H.
What are the key properties of 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine?
3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine is sourced from PubChem (CID 174760347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).