(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol

C12H10ClFN2O — CID 114454131

IUPAC(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol
SMILESNc1ncccc1C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H10ClFN2O/c13-8-4-7(5-9(14)6-8)11(17)10-2-1-3-16-12(10)15/h1-6,11,17H,(H2,15,16)
InChIKeyCHEQQHGHACGPPX-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.54
Rot. Bonds2

About (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol

(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol (PubChem CID 114454131) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol
PubChem CID114454131
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol
SMILESNc1ncccc1C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H10ClFN2O/c13-8-4-7(5-9(14)6-8)11(17)10-2-1-3-16-12(10)15/h1-6,11,17H,(H2,15,16)
InChIKeyCHEQQHGHACGPPX-UHFFFAOYSA-N
XLogP2.54
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol?
The IUPAC name of (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol (CID 114454131) is (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol?
The canonical SMILES for (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol is Nc1ncccc1C(O)c1cc(F)cc(Cl)c1.
What is the InChIKey of (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol?
The InChIKey is CHEQQHGHACGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-8-4-7(5-9(14)6-8)11(17)10-2-1-3-16-12(10)15/h1-6,11,17H,(H2,15,16).
What are the key properties of (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol?
(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol has a molecular weight of 252.68 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol is sourced from PubChem (CID 114454131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).