(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol

C10H10ClFN4O — CID 164718994

IUPAC(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(F)cnc2Cl)nn1
InChIInChI=1S/C10H10ClFN4O/c1-2-16-5-8(14-15-16)9(17)7-3-6(12)4-13-10(7)11/h3-5,9,17H,2H2,1H3
InChIKeyFJPCNFRWAKGWFL-UHFFFAOYSA-N
MW256.67 g/mol
LogP1.57
Rot. Bonds3

About (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol

(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol (PubChem CID 164718994) has the molecular formula C10H10ClFN4O and a molecular weight of 256.67 g/mol. Its IUPAC name is (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol
PubChem CID164718994
Molecular FormulaC10H10ClFN4O
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC Name(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(F)cnc2Cl)nn1
InChIInChI=1S/C10H10ClFN4O/c1-2-16-5-8(14-15-16)9(17)7-3-6(12)4-13-10(7)11/h3-5,9,17H,2H2,1H3
InChIKeyFJPCNFRWAKGWFL-UHFFFAOYSA-N
XLogP1.57
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
The IUPAC name of (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol (CID 164718994) is (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol.
What is the SMILES notation for (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
The canonical SMILES for (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol is CCn1cc(C(O)c2cc(F)cnc2Cl)nn1.
What is the InChIKey of (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
The InChIKey is FJPCNFRWAKGWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O/c1-2-16-5-8(14-15-16)9(17)7-3-6(12)4-13-10(7)11/h3-5,9,17H,2H2,1H3.
What are the key properties of (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol?
(2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol has a molecular weight of 256.67 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-3-pyridinyl)-(1-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 164718994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).