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

C14H13ClF2N2O — CID 83081751

IUPAC2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2c(F)cc(F)cc2Cl)c1
InChIInChI=1S/C14H13ClF2N2O/c1-8-3-11(20-2)6-10(19-8)7-18-14-12(15)4-9(16)5-13(14)17/h3-6,18H,7H2,1-2H3
InChIKeyLRWCIAXZRVMVMK-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.94
Rot. Bonds4

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

2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 83081751) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID83081751
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2c(F)cc(F)cc2Cl)c1
InChIInChI=1S/C14H13ClF2N2O/c1-8-3-11(20-2)6-10(19-8)7-18-14-12(15)4-9(16)5-13(14)17/h3-6,18H,7H2,1-2H3
InChIKeyLRWCIAXZRVMVMK-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 83081751) is 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2c(F)cc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is LRWCIAXZRVMVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c1-8-3-11(20-2)6-10(19-8)7-18-14-12(15)4-9(16)5-13(14)17/h3-6,18H,7H2,1-2H3.
What are the key properties of 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 298.72 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 83081751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).