5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine

C12H10ClF2N3 — CID 82815662

IUPAC5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2ncc(Cl)cc2N)c1F
InChIInChI=1S/C12H10ClF2N3/c1-6-2-3-8(14)11(10(6)15)18-12-9(16)4-7(13)5-17-12/h2-5H,16H2,1H3,(H,17,18)
InChIKeyWOQSOPPUCJAWIW-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.65
Rot. Bonds2

About 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine

5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine (PubChem CID 82815662) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
PubChem CID82815662
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2ncc(Cl)cc2N)c1F
InChIInChI=1S/C12H10ClF2N3/c1-6-2-3-8(14)11(10(6)15)18-12-9(16)4-7(13)5-17-12/h2-5H,16H2,1H3,(H,17,18)
InChIKeyWOQSOPPUCJAWIW-UHFFFAOYSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82816630
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
CID 82820362
4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
CID 82820361
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82815883
5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
CID 104535596
5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 79021909
3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428
3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107058219
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine (CID 82815662) is 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine is Cc1ccc(F)c(Nc2ncc(Cl)cc2N)c1F.
What is the InChIKey of 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
The InChIKey is WOQSOPPUCJAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c1-6-2-3-8(14)11(10(6)15)18-12-9(16)4-7(13)5-17-12/h2-5H,16H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine has a molecular weight of 269.68 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 82815662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).