4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol

C13H12ClFN2O — CID 138377746

IUPAC4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol
SMILESCc1cc(N)nc(C)c1-c1cc(Cl)c(O)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-6-3-12(16)17-7(2)13(6)8-4-9(14)11(18)5-10(8)15/h3-5,18H,1-2H3,(H2,16,17)
InChIKeyHGJWDOPRMHHSGZ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.45
Rot. Bonds1

About 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol

4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol (PubChem CID 138377746) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol.

Molecular Properties

Compound Name4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol
PubChem CID138377746
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol
SMILESCc1cc(N)nc(C)c1-c1cc(Cl)c(O)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-6-3-12(16)17-7(2)13(6)8-4-9(14)11(18)5-10(8)15/h3-5,18H,1-2H3,(H2,16,17)
InChIKeyHGJWDOPRMHHSGZ-UHFFFAOYSA-N
XLogP3.45
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol?
The IUPAC name of 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol (CID 138377746) is 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol.
What is the SMILES notation for 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol?
The canonical SMILES for 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol is Cc1cc(N)nc(C)c1-c1cc(Cl)c(O)cc1F.
What is the InChIKey of 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol?
The InChIKey is HGJWDOPRMHHSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-6-3-12(16)17-7(2)13(6)8-4-9(14)11(18)5-10(8)15/h3-5,18H,1-2H3,(H2,16,17).
What are the key properties of 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol?
4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol has a molecular weight of 266.70 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol is sourced from PubChem (CID 138377746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).