(2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol

C12H9ClF2N2O — CID 23114782

IUPAC(2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
SMILESNc1cc(C(O)c2cc(F)ccc2F)c(Cl)cn1
InChIInChI=1S/C12H9ClF2N2O/c13-9-5-17-11(16)4-7(9)12(18)8-3-6(14)1-2-10(8)15/h1-5,12,18H,(H2,16,17)
InChIKeyMVFZNSLPTGGYAV-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.68
Rot. Bonds2

About (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol

(2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol (PubChem CID 23114782) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
PubChem CID23114782
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
SMILESNc1cc(C(O)c2cc(F)ccc2F)c(Cl)cn1
InChIInChI=1S/C12H9ClF2N2O/c13-9-5-17-11(16)4-7(9)12(18)8-3-6(14)1-2-10(8)15/h1-5,12,18H,(H2,16,17)
InChIKeyMVFZNSLPTGGYAV-UHFFFAOYSA-N
XLogP2.68
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol (CID 23114782) is (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol is Nc1cc(C(O)c2cc(F)ccc2F)c(Cl)cn1.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
The InChIKey is MVFZNSLPTGGYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c13-9-5-17-11(16)4-7(9)12(18)8-3-6(14)1-2-10(8)15/h1-5,12,18H,(H2,16,17).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
(2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol has a molecular weight of 270.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol is sourced from PubChem (CID 23114782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).