3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine

C14H14Cl2FN3 — CID 102756516

IUPAC3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1nc(N(C)Cc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-18-13-10(15)7-11(16)14(19-13)20(2)8-9-5-3-4-6-12(9)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeySXTLEUKVWBARRW-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.21
Rot. Bonds4

About 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine

3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine (PubChem CID 102756516) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
PubChem CID102756516
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1nc(N(C)Cc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-18-13-10(15)7-11(16)14(19-13)20(2)8-9-5-3-4-6-12(9)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeySXTLEUKVWBARRW-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
3,5-dichloro-6-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 102761719
3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756557
3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
CID 62141923
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80794453
3,5-dichloro-6-N-methyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756512
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine (CID 102756516) is 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine is CNc1nc(N(C)Cc2ccccc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The InChIKey is SXTLEUKVWBARRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-18-13-10(15)7-11(16)14(19-13)20(2)8-9-5-3-4-6-12(9)17/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine has a molecular weight of 314.19 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine is sourced from PubChem (CID 102756516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).