4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine

C12H10ClFN2O — CID 62465698

IUPAC4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1cc(COc2ccc(F)cc2Cl)ccn1
InChIInChI=1S/C12H10ClFN2O/c13-10-6-9(14)1-2-11(10)17-7-8-3-4-16-12(15)5-8/h1-6H,7H2,(H2,15,16)
InChIKeyZXHIAOCVIQESPF-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

About 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine

4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine (PubChem CID 62465698) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
PubChem CID62465698
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1cc(COc2ccc(F)cc2Cl)ccn1
InChIInChI=1S/C12H10ClFN2O/c13-10-6-9(14)1-2-11(10)17-7-8-3-4-16-12(15)5-8/h1-6H,7H2,(H2,15,16)
InChIKeyZXHIAOCVIQESPF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465712
4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575
4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine
CID 102620314
bromozinc(1+);2-chloro-4-fluoro-1-(phenylmethoxy)benzene
CID 146002169
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine (CID 62465698) is 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine is Nc1cc(COc2ccc(F)cc2Cl)ccn1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
The InChIKey is ZXHIAOCVIQESPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-10-6-9(14)1-2-11(10)17-7-8-3-4-16-12(15)5-8/h1-6H,7H2,(H2,15,16).
What are the key properties of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine has a molecular weight of 252.68 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62465698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).