6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine

C12H11ClFN3 — CID 80647965

IUPAC6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESNc1cccc(NCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3/c13-9-6-8(4-5-10(9)14)7-16-12-3-1-2-11(15)17-12/h1-6H,7H2,(H3,15,16,17)
InChIKeyBIDOTQXGPGRSST-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.07
Rot. Bonds3

About 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine

6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine (PubChem CID 80647965) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine
PubChem CID80647965
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESNc1cccc(NCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3/c13-9-6-8(4-5-10(9)14)7-16-12-3-1-2-11(15)17-12/h1-6H,7H2,(H3,15,16,17)
InChIKeyBIDOTQXGPGRSST-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chloro-4-fluorophenyl)methylamino]pyridine-2-carbothioamide
CID 64596457
N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 62537645
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
3-[[(6-amino-2-pyridinyl)amino]methyl]benzonitrile
CID 80647387
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine (CID 80647965) is 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine is Nc1cccc(NCc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine?
The InChIKey is BIDOTQXGPGRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-9-6-8(4-5-10(9)14)7-16-12-3-1-2-11(15)17-12/h1-6H,7H2,(H3,15,16,17).
What are the key properties of 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine?
6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine has a molecular weight of 251.69 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80647965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).