[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine

C12H10ClFN2O — CID 113469610

IUPAC[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H10ClFN2O/c13-11-4-9(1-2-12(11)14)17-10-3-8(5-15)6-16-7-10/h1-4,6-7H,5,15H2
InChIKeyUISSOYZSADYRLH-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.13
Rot. Bonds3

About [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine

[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine (PubChem CID 113469610) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
PubChem CID113469610
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H10ClFN2O/c13-11-4-9(1-2-12(11)14)17-10-3-8(5-15)6-16-7-10/h1-4,6-7H,5,15H2
InChIKeyUISSOYZSADYRLH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
3-(chloromethyl)-5-(4-chlorophenoxy)pyridine
CID 112693982
1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469619
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
CID 107169727
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
[5-(4-nitrophenoxy)-3-pyridinyl]methanamine
CID 113469595
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
CID 22148760
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine (CID 113469610) is [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine is NCc1cncc(Oc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is UISSOYZSADYRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-11-4-9(1-2-12(11)14)17-10-3-8(5-15)6-16-7-10/h1-4,6-7H,5,15H2.
What are the key properties of [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine?
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine has a molecular weight of 252.68 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 113469610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).