4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C13H12ClFN2O — CID 63985866

IUPAC4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H12ClFN2O/c1-18-13-4-2-3-10(17-13)8-16-12-6-5-9(14)7-11(12)15/h2-7,16H,8H2,1H3
InChIKeyXECINBWNVRNHOY-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 63985866) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID63985866
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H12ClFN2O/c1-18-13-4-2-3-10(17-13)8-16-12-6-5-9(14)7-11(12)15/h2-7,16H,8H2,1H3
InChIKeyXECINBWNVRNHOY-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319
4-bromo-2,5-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107610030
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
CID 103347674
2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107633456
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
N-[(6-bromo-2-pyridinyl)methyl]-5-chloro-2-fluoroaniline
CID 112581924
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 103347490
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 63985866) is 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COc1cccc(CNc2ccc(Cl)cc2F)n1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is XECINBWNVRNHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-18-13-4-2-3-10(17-13)8-16-12-6-5-9(14)7-11(12)15/h2-7,16H,8H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline has a molecular weight of 266.70 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 63985866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).