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

C16H10Cl2FN3O — CID 56679068

IUPAC(4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1cnc(Cl)nc1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H10Cl2FN3O/c17-12-3-4-13(14(19)6-12)16(23,10-2-1-5-20-7-10)11-8-21-15(18)22-9-11/h1-9,23H
InChIKeyWZNYAHKZOSGZHM-UHFFFAOYSA-N
MW350.18 g/mol
LogP3.60
Rot. Bonds3

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

(4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol (PubChem CID 56679068) has the molecular formula C16H10Cl2FN3O and a molecular weight of 350.18 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol
PubChem CID56679068
Molecular FormulaC16H10Cl2FN3O
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC Name(4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1cnc(Cl)nc1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H10Cl2FN3O/c17-12-3-4-13(14(19)6-12)16(23,10-2-1-5-20-7-10)11-8-21-15(18)22-9-11/h1-9,23H
InChIKeyWZNYAHKZOSGZHM-UHFFFAOYSA-N
XLogP3.60
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol (CID 56679068) is (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol is OC(c1cccnc1)(c1cnc(Cl)nc1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
The InChIKey is WZNYAHKZOSGZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O/c17-12-3-4-13(14(19)6-12)16(23,10-2-1-5-20-7-10)11-8-21-15(18)22-9-11/h1-9,23H.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
(4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol has a molecular weight of 350.18 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56679068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).