4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline

C13H12ClFN2O — CID 107268067

IUPAC4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2cncc(F)c2)ccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-18-13-5-11(2-3-12(13)14)17-7-9-4-10(15)8-16-6-9/h2-6,8,17H,7H2,1H3
InChIKeyOIXYIQRACQKCGH-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline

4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline (PubChem CID 107268067) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
PubChem CID107268067
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2cncc(F)c2)ccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-18-13-5-11(2-3-12(13)14)17-7-9-4-10(15)8-16-6-9/h2-6,8,17H,7H2,1H3
InChIKeyOIXYIQRACQKCGH-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

4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline (CID 107268067) is 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline is COc1cc(NCc2cncc(F)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline?
The InChIKey is OIXYIQRACQKCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-18-13-5-11(2-3-12(13)14)17-7-9-4-10(15)8-16-6-9/h2-6,8,17H,7H2,1H3.
What are the key properties of 4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline?
4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline 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-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 107268067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).