5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine

C13H12ClFN2O — CID 79727364

IUPAC5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
SMILESCCOc1ccccc1Nc1ncc(Cl)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-2-18-12-6-4-3-5-11(12)17-13-10(15)7-9(14)8-16-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyPRLYHYARZOLQBV-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine

5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine (PubChem CID 79727364) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
PubChem CID79727364
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
SMILESCCOc1ccccc1Nc1ncc(Cl)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-2-18-12-6-4-3-5-11(12)17-13-10(15)7-9(14)8-16-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyPRLYHYARZOLQBV-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153096
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
4-chloro-2-(2-ethoxyanilino)benzonitrile
CID 63517459
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 79727218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine (CID 79727364) is 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine is CCOc1ccccc1Nc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine?
The InChIKey is PRLYHYARZOLQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-2-18-12-6-4-3-5-11(12)17-13-10(15)7-9(14)8-16-13/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine?
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine has a molecular weight of 266.70 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).