2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine

C17H14ClFN4 — CID 172608605

IUPAC2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
SMILESCn1ncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1
InChIInChI=1S/C17H14ClFN4/c1-23-17(20-9-21-23)14-8-12(19)4-5-13(14)11-6-15(10-2-3-10)22-16(18)7-11/h4-10H,2-3H2,1H3
InChIKeyBSVROXWBYSCQDE-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine

2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine (PubChem CID 172608605) has the molecular formula C17H14ClFN4 and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
PubChem CID172608605
Molecular FormulaC17H14ClFN4
Molecular Weight328.78 g/mol
Exact Mass328.09
IUPAC Name2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
SMILESCn1ncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1
InChIInChI=1S/C17H14ClFN4/c1-23-17(20-9-21-23)14-8-12(19)4-5-13(14)11-6-15(10-2-3-10)22-16(18)7-11/h4-10H,2-3H2,1H3
InChIKeyBSVROXWBYSCQDE-UHFFFAOYSA-N
XLogP4.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine
CID 172608829
2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-6-methylpyridine
CID 123665063
4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-one
CID 172608507
5-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)benzaldehyde
CID 58542031
6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine
CID 177368149
methyl 5-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)benzoate
CID 58541909
2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
CID 166556278
N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 177367967
[2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 166557321
4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
CID 80952148
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine
CID 172580927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
The IUPAC name of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine (CID 172608605) is 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
The canonical SMILES for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine is Cn1ncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1.
What is the InChIKey of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
The InChIKey is BSVROXWBYSCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4/c1-23-17(20-9-21-23)14-8-12(19)4-5-13(14)11-6-15(10-2-3-10)22-16(18)7-11/h4-10H,2-3H2,1H3.
What are the key properties of 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine has a molecular weight of 328.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine is sourced from PubChem (CID 172608605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).