6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine

C12H10ClFN2O — CID 21114562

IUPAC6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine
SMILESNc1ccc(OCc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C12H10ClFN2O/c13-11-5-9(14)2-1-8(11)7-17-12-4-3-10(15)6-16-12/h1-6H,7,15H2
InChIKeyUACZYEFXHYJBNV-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

About 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine

6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine (PubChem CID 21114562) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine
PubChem CID21114562
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine
SMILESNc1ccc(OCc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C12H10ClFN2O/c13-11-5-9(14)2-1-8(11)7-17-12-4-3-10(15)6-16-12/h1-6H,7,15H2
InChIKeyUACZYEFXHYJBNV-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine?
The IUPAC name of 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine (CID 21114562) is 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine.
What is the SMILES notation for 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine?
The canonical SMILES for 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine is Nc1ccc(OCc2ccc(F)cc2Cl)nc1.
What is the InChIKey of 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine?
The InChIKey is UACZYEFXHYJBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-11-5-9(14)2-1-8(11)7-17-12-4-3-10(15)6-16-12/h1-6H,7,15H2.
What are the key properties of 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine?
6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine has a molecular weight of 252.68 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-fluorophenyl)methoxy]pyridin-3-amine is sourced from PubChem (CID 21114562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).