2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine

C10H10ClFN4 — CID 164719004

IUPAC2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine
SMILESCCn1cc(Cc2cc(F)cnc2Cl)nn1
InChIInChI=1S/C10H10ClFN4/c1-2-16-6-9(14-15-16)4-7-3-8(12)5-13-10(7)11/h3,5-6H,2,4H2,1H3
InChIKeyKHZGDSBAHOMJPX-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.08
Rot. Bonds3

About 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine

2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine (PubChem CID 164719004) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine
PubChem CID164719004
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine
SMILESCCn1cc(Cc2cc(F)cnc2Cl)nn1
InChIInChI=1S/C10H10ClFN4/c1-2-16-6-9(14-15-16)4-7-3-8(12)5-13-10(7)11/h3,5-6H,2,4H2,1H3
InChIKeyKHZGDSBAHOMJPX-UHFFFAOYSA-N
XLogP2.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.08
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

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
4-(4-chlorobenzyl)-N-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]piperazin-1-amine
CID 5343521
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(1-methylpyrrol-2-yl)methanimine
CID 6884915
1-[[5-(4-Chloro-2-fluorophenyl)-2-pyridinyl]methyl]benzotriazole
CID 155519836
1-[[6-(4-Chloro-2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155540333
4-[5-(4-Fluoro-phenyl)-2H-[1,2,3]triazol-4-yl]-pyridine
CID 22725982
2-fluoro-4-(2H-triazol-4-yl)pyridine
CID 60156094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine?
The IUPAC name of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine (CID 164719004) is 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine.
What is the SMILES notation for 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine?
The canonical SMILES for 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine is CCn1cc(Cc2cc(F)cnc2Cl)nn1.
What is the InChIKey of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine?
The InChIKey is KHZGDSBAHOMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-2-16-6-9(14-15-16)4-7-3-8(12)5-13-10(7)11/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine?
2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine has a molecular weight of 240.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine is sourced from PubChem (CID 164719004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).