6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine

C12H9ClF2N2O — CID 114073469

IUPAC6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
SMILESNc1nc(OCc2cccc(Cl)c2)c(F)cc1F
InChIInChI=1S/C12H9ClF2N2O/c13-8-3-1-2-7(4-8)6-18-12-10(15)5-9(14)11(16)17-12/h1-5H,6H2,(H2,16,17)
InChIKeyAASLCTBIWJWXCJ-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.17
Rot. Bonds3

About 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine

6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine (PubChem CID 114073469) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
PubChem CID114073469
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
SMILESNc1nc(OCc2cccc(Cl)c2)c(F)cc1F
InChIInChI=1S/C12H9ClF2N2O/c13-8-3-1-2-7(4-8)6-18-12-10(15)5-9(14)11(16)17-12/h1-5H,6H2,(H2,16,17)
InChIKeyAASLCTBIWJWXCJ-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
CID 80876322
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
CID 105391554
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine
CID 79075950
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole
CID 65125047
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332823

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine (CID 114073469) is 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine is Nc1nc(OCc2cccc(Cl)c2)c(F)cc1F.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine?
The InChIKey is AASLCTBIWJWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c13-8-3-1-2-7(4-8)6-18-12-10(15)5-9(14)11(16)17-12/h1-5H,6H2,(H2,16,17).
What are the key properties of 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine?
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine has a molecular weight of 270.67 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 114073469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).