[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine

C16H12Cl2N2O — CID 62322786

IUPAC[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2ccc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-12-5-7-15(11-4-2-1-3-10(11)12)21-16-8-6-13(18)14(9-19)20-16/h1-8H,9,19H2
InChIKeyKOJPXVRQGZBYER-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.79
Rot. Bonds3

About [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine

[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine (PubChem CID 62322786) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
PubChem CID62322786
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2ccc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-12-5-7-15(11-4-2-1-3-10(11)12)21-16-8-6-13(18)14(9-19)20-16/h1-8H,9,19H2
InChIKeyKOJPXVRQGZBYER-UHFFFAOYSA-N
XLogP4.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-6-phenoxy-2-pyridinyl)methanamine
CID 62296116
2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine
CID 63446636
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
CID 62322004
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984
[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
CID 62322532
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
CID 80632138
(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
CID 62290164
2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
CID 79633476
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
[4-(4-chloronaphthalen-1-yl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81255368
3-chloro-2-(chloromethyl)-6-(2-fluorophenoxy)pyridine
CID 61267319

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine (CID 62322786) is [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine is NCc1nc(Oc2ccc(Cl)c3ccccc23)ccc1Cl.
What is the InChIKey of [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine?
The InChIKey is KOJPXVRQGZBYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-12-5-7-15(11-4-2-1-3-10(11)12)21-16-8-6-13(18)14(9-19)20-16/h1-8H,9,19H2.
What are the key properties of [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine?
[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine has a molecular weight of 319.19 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine is sourced from PubChem (CID 62322786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).