[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine

C13H12ClFN2O — CID 106908576

IUPAC[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(COc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c14-12-5-4-11(6-13(12)15)18-8-10-3-1-2-9(7-16)17-10/h1-6H,7-8,16H2
InChIKeyIGBHJYMJDDRKBJ-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.91
Rot. Bonds4

About [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine

[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 106908576) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID106908576
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(COc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c14-12-5-4-11(6-13(12)15)18-8-10-3-1-2-9(7-16)17-10/h1-6H,7-8,16H2
InChIKeyIGBHJYMJDDRKBJ-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
3-chloro-6-[(4-chloro-3-fluorophenoxy)methyl]pyridazine
CID 104514281
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
CID 156504997
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
CID 82716752

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine (CID 106908576) is [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine is NCc1cccc(COc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is IGBHJYMJDDRKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-12-5-4-11(6-13(12)15)18-8-10-3-1-2-9(7-16)17-10/h1-6H,7-8,16H2.
What are the key properties of [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 266.70 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106908576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).