[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine

C12H9Cl2FN2O — CID 114264198

IUPAC[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cc(F)ccc2Cl)c1Cl
InChIInChI=1S/C12H9Cl2FN2O/c13-9-2-1-8(15)5-10(9)18-12-11(14)7(6-16)3-4-17-12/h1-5H,6,16H2
InChIKeyOGLZNRPGGWLSDY-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.78
Rot. Bonds3

About [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine

[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine (PubChem CID 114264198) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
PubChem CID114264198
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cc(F)ccc2Cl)c1Cl
InChIInChI=1S/C12H9Cl2FN2O/c13-9-2-1-8(15)5-10(9)18-12-11(14)7(6-16)3-4-17-12/h1-5H,6,16H2
InChIKeyOGLZNRPGGWLSDY-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
3-(2-chloro-5-fluorophenoxy)pyrazine-2-carbothioamide
CID 114264253
[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
(3-chloro-2-propoxy-4-pyridinyl)methanamine
CID 107056050
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
5-chloro-2-(2-chloro-5-fluorophenoxy)pyridine-3-carboxamide
CID 141112105
2-(2-chloro-5-fluorophenoxy)pyrimidine-4-carbothioamide
CID 114264252

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine (CID 114264198) is [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine is NCc1ccnc(Oc2cc(F)ccc2Cl)c1Cl.
What is the InChIKey of [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine?
The InChIKey is OGLZNRPGGWLSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c13-9-2-1-8(15)5-10(9)18-12-11(14)7(6-16)3-4-17-12/h1-5H,6,16H2.
What are the key properties of [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine?
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine has a molecular weight of 287.12 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 114264198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).