3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine

C13H14ClN3O — CID 82486138

IUPAC3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
SMILESCCOc1ccccc1Nc1ncc(N)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-2-18-12-6-4-3-5-11(12)17-13-10(14)7-9(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyCNPNDKAMJWWWAG-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.46
Rot. Bonds4

About 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine

3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine (PubChem CID 82486138) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
PubChem CID82486138
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
SMILESCCOc1ccccc1Nc1ncc(N)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-2-18-12-6-4-3-5-11(12)17-13-10(14)7-9(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyCNPNDKAMJWWWAG-UHFFFAOYSA-N
XLogP3.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153096
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153044
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine (CID 82486138) is 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine is CCOc1ccccc1Nc1ncc(N)cc1Cl.
What is the InChIKey of 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine?
The InChIKey is CNPNDKAMJWWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-18-12-6-4-3-5-11(12)17-13-10(14)7-9(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17).
What are the key properties of 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine?
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine has a molecular weight of 263.73 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 82486138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).