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

C12H10ClFN2O — CID 116689981

IUPAC[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cnccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C12H10ClFN2O/c13-9-2-1-3-11(12(9)14)17-10-4-5-16-7-8(10)6-15/h1-5,7H,6,15H2
InChIKeyJDWVXSRQONSKFU-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.13
Rot. Bonds3

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

[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine (PubChem CID 116689981) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
PubChem CID116689981
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cnccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C12H10ClFN2O/c13-9-2-1-3-11(12(9)14)17-10-4-5-16-7-8(10)6-15/h1-5,7H,6,15H2
InChIKeyJDWVXSRQONSKFU-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

N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 105067223
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
CID 81250207
[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine
CID 116690089
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251232
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine (CID 116689981) is [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine is NCc1cnccc1Oc1cccc(Cl)c1F.
What is the InChIKey of [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is JDWVXSRQONSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-2-1-3-11(12(9)14)17-10-4-5-16-7-8(10)6-15/h1-5,7H,6,15H2.
What are the key properties of [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine?
[4-(3-chloro-2-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 [4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 116689981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).