[2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol

C12H10ClFN2O — CID 86695915

IUPAC[2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol
SMILESNc1nccc(-c2ccc(Cl)cc2F)c1CO
InChIInChI=1S/C12H10ClFN2O/c13-7-1-2-9(11(14)5-7)8-3-4-16-12(15)10(8)6-17/h1-5,17H,6H2,(H2,15,16)
InChIKeyBIOVUZHAHSWRRE-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.62
Rot. Bonds2

About [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol

[2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol (PubChem CID 86695915) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol
PubChem CID86695915
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name[2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol
SMILESNc1nccc(-c2ccc(Cl)cc2F)c1CO
InChIInChI=1S/C12H10ClFN2O/c13-7-1-2-9(11(14)5-7)8-3-4-16-12(15)10(8)6-17/h1-5,17H,6H2,(H2,15,16)
InChIKeyBIOVUZHAHSWRRE-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol (CID 86695915) is [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol is Nc1nccc(-c2ccc(Cl)cc2F)c1CO.
What is the InChIKey of [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol?
The InChIKey is BIOVUZHAHSWRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-7-1-2-9(11(14)5-7)8-3-4-16-12(15)10(8)6-17/h1-5,17H,6H2,(H2,15,16).
What are the key properties of [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol?
[2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol has a molecular weight of 252.68 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 86695915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).