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

C14H10ClFN4 — CID 166556278

IUPAC2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
SMILESCn1cnnc1-c1cc(F)ccc1-c1ccnc(Cl)c1
InChIInChI=1S/C14H10ClFN4/c1-20-8-18-19-14(20)12-7-10(16)2-3-11(12)9-4-5-17-13(15)6-9/h2-8H,1H3
InChIKeyZRNQRICLNHHGNA-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.34
Rot. Bonds2

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

2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine (PubChem CID 166556278) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
PubChem CID166556278
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
SMILESCn1cnnc1-c1cc(F)ccc1-c1ccnc(Cl)c1
InChIInChI=1S/C14H10ClFN4/c1-20-8-18-19-14(20)12-7-10(16)2-3-11(12)9-4-5-17-13(15)6-9/h2-8H,1H3
InChIKeyZRNQRICLNHHGNA-UHFFFAOYSA-N
XLogP3.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.34
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

3-(2-bromo-5-fluorophenyl)-4-methyl-1,2,4-triazole
CID 115395337
6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608593
6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde
CID 166556269
[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methanol
CID 166557900
2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine
CID 58592618
6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine
CID 167421238
6-(2-cyanoethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxylic acid
CID 171820382
3-[[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-formyl-2-pyridinyl]amino]propanenitrile
CID 171820455
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-methoxy-1,3-benzoxazol-5-yl]methanol
CID 166557430
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
[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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
The IUPAC name of 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine (CID 166556278) is 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
The canonical SMILES for 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine is Cn1cnnc1-c1cc(F)ccc1-c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
The InChIKey is ZRNQRICLNHHGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c1-20-8-18-19-14(20)12-7-10(16)2-3-11(12)9-4-5-17-13(15)6-9/h2-8H,1H3.
What are the key properties of 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine?
2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine has a molecular weight of 288.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine is sourced from PubChem (CID 166556278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).