2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine

C18H15ClFN3 — CID 176588924

IUPAC2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine
SMILESCc1cn[nH]c1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1
InChIInChI=1S/C18H15ClFN3/c1-10-9-21-23-18(10)15-8-13(20)4-5-14(15)12-6-16(11-2-3-11)22-17(19)7-12/h4-9,11H,2-3H2,1H3,(H,21,23)
InChIKeyDQBRYXHEAMVNOE-UHFFFAOYSA-N
MW327.79 g/mol
LogP5.12
Rot. Bonds3

About 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine

2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine (PubChem CID 176588924) has the molecular formula C18H15ClFN3 and a molecular weight of 327.79 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine
PubChem CID176588924
Molecular FormulaC18H15ClFN3
Molecular Weight327.79 g/mol
Exact Mass327.09
IUPAC Name2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine
SMILESCc1cn[nH]c1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1
InChIInChI=1S/C18H15ClFN3/c1-10-9-21-23-18(10)15-8-13(20)4-5-14(15)12-6-16(11-2-3-11)22-17(19)7-12/h4-9,11H,2-3H2,1H3,(H,21,23)
InChIKeyDQBRYXHEAMVNOE-UHFFFAOYSA-N
XLogP5.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.79
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
2-[4-chlorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9945516
2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine
CID 10083602
2-[4-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-pyridine
CID 10900715
2-Methyl-6-(4-phenyl-1H-pyrazol-3-yl)-pyridine
CID 11791162
2-[4-(3,4-Difluoro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 11807788
4-(3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037400
4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037512
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22953832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine?
The IUPAC name of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine (CID 176588924) is 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine is Cc1cn[nH]c1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1.
What is the InChIKey of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine?
The InChIKey is DQBRYXHEAMVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3/c1-10-9-21-23-18(10)15-8-13(20)4-5-14(15)12-6-16(11-2-3-11)22-17(19)7-12/h4-9,11H,2-3H2,1H3,(H,21,23).
What are the key properties of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine?
2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine has a molecular weight of 327.79 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 176588924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).