2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol

C12H11ClFN3O — CID 172590006

IUPAC2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc(Cl)ncc2F)ccn1
InChIInChI=1S/C12H11ClFN3O/c1-12(2,18)9-5-7(3-4-15-9)10-8(14)6-16-11(13)17-10/h3-6,18H,1-2H3
InChIKeyBUZZTPKMZQQKSC-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.56
Rot. Bonds2

About 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol

2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol (PubChem CID 172590006) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol
PubChem CID172590006
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc(Cl)ncc2F)ccn1
InChIInChI=1S/C12H11ClFN3O/c1-12(2,18)9-5-7(3-4-15-9)10-8(14)6-16-11(13)17-10/h3-6,18H,1-2H3
InChIKeyBUZZTPKMZQQKSC-UHFFFAOYSA-N
XLogP2.56
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol (CID 172590006) is 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(-c2nc(Cl)ncc2F)ccn1.
What is the InChIKey of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is BUZZTPKMZQQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-12(2,18)9-5-7(3-4-15-9)10-8(14)6-16-11(13)17-10/h3-6,18H,1-2H3.
What are the key properties of 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol?
2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 267.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 172590006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).