(4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol

C19H17ClFN3O2 — CID 56669318

IUPAC(4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ncc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C19H17ClFN3O2/c1-12(2)26-18-23-10-14(11-24-18)19(25,13-4-3-7-22-9-13)16-6-5-15(20)8-17(16)21/h3-12,25H,1-2H3
InChIKeyJKWOWWLZRJZDLN-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.74
Rot. Bonds5

About (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol

(4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol (PubChem CID 56669318) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
PubChem CID56669318
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name(4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ncc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C19H17ClFN3O2/c1-12(2)26-18-23-10-14(11-24-18)19(25,13-4-3-7-22-9-13)16-6-5-15(20)8-17(16)21/h3-12,25H,1-2H3
InChIKeyJKWOWWLZRJZDLN-UHFFFAOYSA-N
XLogP3.74
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol (CID 56669318) is (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol is CC(C)Oc1ncc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
The InChIKey is JKWOWWLZRJZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-12(2)26-18-23-10-14(11-24-18)19(25,13-4-3-7-22-9-13)16-6-5-15(20)8-17(16)21/h3-12,25H,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
(4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol has a molecular weight of 373.82 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56669318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).