[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine

C12H10ClFN2O — CID 62322532

IUPAC[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C12H10ClFN2O/c13-10-4-5-12(16-11(10)7-15)17-9-3-1-2-8(14)6-9/h1-6H,7,15H2
InChIKeyDWGNRPYAPQLWSU-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.13
Rot. Bonds3

About [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine

[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine (PubChem CID 62322532) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
PubChem CID62322532
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C12H10ClFN2O/c13-10-4-5-12(16-11(10)7-15)17-9-3-1-2-8(14)6-9/h1-6H,7,15H2
InChIKeyDWGNRPYAPQLWSU-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

(3-chloro-6-phenoxy-2-pyridinyl)methanamine
CID 62296116
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
CID 62297582
2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
5-chloro-2-(3-fluorophenoxy)pyridine
CID 66233204
[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
CID 62322786
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
[6-(3-fluorophenoxy)pyrazin-2-yl]methanol
CID 66467083
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine (CID 62322532) is [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine is NCc1nc(Oc2cccc(F)c2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine?
The InChIKey is DWGNRPYAPQLWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-10-4-5-12(16-11(10)7-15)17-9-3-1-2-8(14)6-9/h1-6H,7,15H2.
What are the key properties of [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine?
[3-chloro-6-(3-fluorophenoxy)-2-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 [3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62322532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).