2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

C13H11ClF2N2 — CID 104822073

IUPAC2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Cl)cn1
InChIInChI=1S/C13H11ClF2N2/c1-8-2-3-9(6-17-8)7-18-13-11(14)4-10(15)5-12(13)16/h2-6,18H,7H2,1H3
InChIKeyDOZDPCPNSNXVJY-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.93
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 104822073) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID104822073
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Cl)cn1
InChIInChI=1S/C13H11ClF2N2/c1-8-2-3-9(6-17-8)7-18-13-11(14)4-10(15)5-12(13)16/h2-6,18H,7H2,1H3
InChIKeyDOZDPCPNSNXVJY-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol
CID 83081707
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2-chloro-4,6-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 82890271
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 83082033
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787
4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 104822073) is 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is Cc1ccc(CNc2c(F)cc(F)cc2Cl)cn1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is DOZDPCPNSNXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-8-2-3-9(6-17-8)7-18-13-11(14)4-10(15)5-12(13)16/h2-6,18H,7H2,1H3.
What are the key properties of 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 268.69 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 104822073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).