3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline

C13H12ClFN2O — CID 105011735

IUPAC3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(F)cc(Cl)c2)cn1
InChIInChI=1S/C13H12ClFN2O/c1-18-13-3-2-9(8-17-13)7-16-12-5-10(14)4-11(15)6-12/h2-6,8,16H,7H2,1H3
InChIKeyHHBSIEDXWIVTSS-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.49
Rot. Bonds4

About 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline

3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline (PubChem CID 105011735) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
PubChem CID105011735
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(F)cc(Cl)c2)cn1
InChIInChI=1S/C13H12ClFN2O/c1-18-13-3-2-9(8-17-13)7-16-12-5-10(14)4-11(15)6-12/h2-6,8,16H,7H2,1H3
InChIKeyHHBSIEDXWIVTSS-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

3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
3-chloro-5-fluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107365473
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline (CID 105011735) is 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline is COc1ccc(CNc2cc(F)cc(Cl)c2)cn1.
What is the InChIKey of 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The InChIKey is HHBSIEDXWIVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-18-13-3-2-9(8-17-13)7-16-12-5-10(14)4-11(15)6-12/h2-6,8,16H,7H2,1H3.
What are the key properties of 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
3-chloro-5-fluoro-N-[(6-methoxy-3-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 3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 105011735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).