5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine

C14H14ClFN2O — CID 79727989

IUPAC5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
SMILESCCCOc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C14H14ClFN2O/c1-2-7-19-12-5-3-11(4-6-12)18-14-13(16)8-10(15)9-17-14/h3-6,8-9H,2,7H2,1H3,(H,17,18)
InChIKeyXVMBQWGAPKGNLE-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.41
Rot. Bonds5

About 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine

5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine (PubChem CID 79727989) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
PubChem CID79727989
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
SMILESCCCOc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C14H14ClFN2O/c1-2-7-19-12-5-3-11(4-6-12)18-14-13(16)8-10(15)9-17-14/h3-6,8-9H,2,7H2,1H3,(H,17,18)
InChIKeyXVMBQWGAPKGNLE-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
CID 113398009
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
CID 79727161
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
CID 79727692
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
CID 80826861
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine (CID 79727989) is 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine is CCCOc1ccc(Nc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine?
The InChIKey is XVMBQWGAPKGNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-7-19-12-5-3-11(4-6-12)18-14-13(16)8-10(15)9-17-14/h3-6,8-9H,2,7H2,1H3,(H,17,18).
What are the key properties of 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine has a molecular weight of 280.73 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 79727989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).