5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine

C14H15ClFN3 — CID 104532112

IUPAC5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H15ClFN3/c1-2-6-18-10-7-11(9-17-8-10)19-13-5-3-4-12(15)14(13)16/h3-5,7-9,18-19H,2,6H2,1H3
InChIKeyWYELJWFKMYHCFU-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.44
Rot. Bonds5

About 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine

5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532112) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532112
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H15ClFN3/c1-2-6-18-10-7-11(9-17-8-10)19-13-5-3-4-12(15)14(13)16/h3-5,7-9,18-19H,2,6H2,1H3
InChIKeyWYELJWFKMYHCFU-UHFFFAOYSA-N
XLogP4.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine (CID 104532112) is 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2cccc(Cl)c2F)c1.
What is the InChIKey of 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is WYELJWFKMYHCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-6-18-10-7-11(9-17-8-10)19-13-5-3-4-12(15)14(13)16/h3-5,7-9,18-19H,2,6H2,1H3.
What are the key properties of 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 279.75 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).