2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine

C8H6ClFN4 — CID 154604148

IUPAC2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine
SMILESCn1nnc(-c2ccc(Cl)nc2)c1F
InChIInChI=1S/C8H6ClFN4/c1-14-8(10)7(12-13-14)5-2-3-6(9)11-4-5/h2-4H,1H3
InChIKeyVHYNRPOGICZZBH-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.67
Rot. Bonds1

About 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine

2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine (PubChem CID 154604148) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine
PubChem CID154604148
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine
SMILESCn1nnc(-c2ccc(Cl)nc2)c1F
InChIInChI=1S/C8H6ClFN4/c1-14-8(10)7(12-13-14)5-2-3-6(9)11-4-5/h2-4H,1H3
InChIKeyVHYNRPOGICZZBH-UHFFFAOYSA-N
XLogP1.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.67
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-(1H-1,2,3-triazol-4-yl)pyridine
CID 9942176
1,2,3-Triazole analogue, 27
CID 9833992
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
3-[4-[[4-(3-Chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155518832
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
1-[[6-(4-Chloro-2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155540333
2-fluoro-4-(2H-triazol-4-yl)pyridine
CID 60156094
2-(1-(p-tolyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 56835100
Pyridine, 3-(1-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-
CID 3066642
3-Chloro-4-(pyridin-3-yl)-1,2,5-thiadiazole
CID 10488164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine?
The IUPAC name of 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine (CID 154604148) is 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine?
The canonical SMILES for 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine is Cn1nnc(-c2ccc(Cl)nc2)c1F.
What is the InChIKey of 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine?
The InChIKey is VHYNRPOGICZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c1-14-8(10)7(12-13-14)5-2-3-6(9)11-4-5/h2-4H,1H3.
What are the key properties of 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine?
2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine has a molecular weight of 212.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-fluoro-1-methyltriazol-4-yl)pyridine is sourced from PubChem (CID 154604148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).