2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol

C20H20Cl2F2N8O — CID 165054512

IUPAC2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(F)cnc2Cl)nn1.CCn1cc(Cc2cc(F)cnc2Cl)nn1
InChIInChI=1S/C10H10ClFN4O.C10H10ClFN4/c1-2-16-5-8(14-15-16)9(17)7-3-6(12)4-13-10(7)11;1-2-16-6-9(14-15-16)4-7-3-8(12)5-13-10(7)11/h3-5,9,17H,2H2,1H3;3,5-6H,2,4H2,1H3
InChIKeyQEQTVYSXNGELOV-UHFFFAOYSA-N
MW497.34 g/mol
LogP3.64
Rot. Bonds6

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

2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol (PubChem CID 165054512) has the molecular formula C20H20Cl2F2N8O and a molecular weight of 497.34 g/mol. Its IUPAC name is 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol
PubChem CID165054512
Molecular FormulaC20H20Cl2F2N8O
Molecular Weight497.34 g/mol
Exact Mass496.11
IUPAC Name2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(F)cnc2Cl)nn1.CCn1cc(Cc2cc(F)cnc2Cl)nn1
InChIInChI=1S/C10H10ClFN4O.C10H10ClFN4/c1-2-16-5-8(14-15-16)9(17)7-3-6(12)4-13-10(7)11;1-2-16-6-9(14-15-16)4-7-3-8(12)5-13-10(7)11/h3-5,9,17H,2H2,1H3;3,5-6H,2,4H2,1H3
InChIKeyQEQTVYSXNGELOV-UHFFFAOYSA-N
XLogP3.64
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanol
CID 10175299
[2-[1-[6-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-3-pyridinyl]triazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanol
CID 87985085
[2-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanol
CID 87985087
[2-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanol
CID 145788159
4-[Chloro-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 163604574
(2-Chloro-5-fluoro-3-pyridinyl)-[1-(cyclopropylmethyl)triazol-4-yl]methanol
CID 164718670
(2-Chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol
CID 164718994
[1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 94943504
[1-[(2-Chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol
CID 94943507
(5-Fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol
CID 105128674
(5-Fluoro-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128799
[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol
CID 106972084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
The IUPAC name of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol (CID 165054512) is 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol.
What is the SMILES notation for 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
The canonical SMILES for 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol is CCn1cc(C(O)c2cc(F)cnc2Cl)nn1.CCn1cc(Cc2cc(F)cnc2Cl)nn1.
What is the InChIKey of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
The InChIKey is QEQTVYSXNGELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O.C10H10ClFN4/c1-2-16-5-8(14-15-16)9(17)7-3-6(12)4-13-10(7)11;1-2-16-6-9(14-15-16)4-7-3-8(12)5-13-10(7)11/h3-5,9,17H,2H2,1H3;3,5-6H,2,4H2,1H3.
What are the key properties of 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol has a molecular weight of 497.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1-ethyltriazol-4-yl)methyl]-5-fluoropyridine;(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 165054512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).