3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine

C12H11ClFN3 — CID 139389926

IUPAC3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine
SMILESCc1c(Cl)cccc1-c1cc(F)c(N)nc1N
InChIInChI=1S/C12H11ClFN3/c1-6-7(3-2-4-9(6)13)8-5-10(14)12(16)17-11(8)15/h2-5H,1H3,(H4,15,16,17)
InChIKeyOPSBVIYMPSSVLO-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.01
Rot. Bonds1

About 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine

3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine (PubChem CID 139389926) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine
PubChem CID139389926
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine
SMILESCc1c(Cl)cccc1-c1cc(F)c(N)nc1N
InChIInChI=1S/C12H11ClFN3/c1-6-7(3-2-4-9(6)13)8-5-10(14)12(16)17-11(8)15/h2-5H,1H3,(H4,15,16,17)
InChIKeyOPSBVIYMPSSVLO-UHFFFAOYSA-N
XLogP3.01
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
CID 107096884
4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
CID 90189205
2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine
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5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
2-chloro-6-(6-chloro-1-methylbenzimidazol-2-yl)aniline
CID 107050019
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
6-(2-chlorophenyl)-5-methylquinazoline-2,4-diamine
CID 134112794
2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid
CID 21484036
1-N-(3-chloro-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902665
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793614
2-(3-chloro-2-methylphenyl)pyridin-3-amine
CID 82393115
5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine
CID 107096246

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine (CID 139389926) is 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine is Cc1c(Cl)cccc1-c1cc(F)c(N)nc1N.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine?
The InChIKey is OPSBVIYMPSSVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-6-7(3-2-4-9(6)13)8-5-10(14)12(16)17-11(8)15/h2-5H,1H3,(H4,15,16,17).
What are the key properties of 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine?
3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine has a molecular weight of 251.69 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine is sourced from PubChem (CID 139389926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).