2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol

C14H13Cl2FN2O — CID 118211643

IUPAC2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1c(Cl)cc(-c2cc(Cl)ccc2F)nc1N
InChIInChI=1S/C14H13Cl2FN2O/c1-14(2,20)12-9(16)6-11(19-13(12)18)8-5-7(15)3-4-10(8)17/h3-6,20H,1-2H3,(H2,18,19)
InChIKeyDUJMVUFPGZPCAR-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.00
Rot. Bonds2

About 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol

2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol (PubChem CID 118211643) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol
PubChem CID118211643
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1c(Cl)cc(-c2cc(Cl)ccc2F)nc1N
InChIInChI=1S/C14H13Cl2FN2O/c1-14(2,20)12-9(16)6-11(19-13(12)18)8-5-7(15)3-4-10(8)17/h3-6,20H,1-2H3,(H2,18,19)
InChIKeyDUJMVUFPGZPCAR-UHFFFAOYSA-N
XLogP4.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol (CID 118211643) is 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol is CC(C)(O)c1c(Cl)cc(-c2cc(Cl)ccc2F)nc1N.
What is the InChIKey of 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol?
The InChIKey is DUJMVUFPGZPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-14(2,20)12-9(16)6-11(19-13(12)18)8-5-7(15)3-4-10(8)17/h3-6,20H,1-2H3,(H2,18,19).
What are the key properties of 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol?
2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol has a molecular weight of 315.18 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 118211643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).