5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine

C15H18ClN3O — CID 82059569

IUPAC5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine
SMILESCC(C)COc1ccc(Nc2ncc(Cl)cc2N)cc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)9-20-13-5-3-12(4-6-13)19-15-14(17)7-11(16)8-18-15/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKeyYUQNUCOYVDDPKL-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.10
Rot. Bonds5

About 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine

5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine (PubChem CID 82059569) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine
PubChem CID82059569
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine
SMILESCC(C)COc1ccc(Nc2ncc(Cl)cc2N)cc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)9-20-13-5-3-12(4-6-13)19-15-14(17)7-11(16)8-18-15/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKeyYUQNUCOYVDDPKL-UHFFFAOYSA-N
XLogP4.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 79021909
2-N-[4-(2-methylpropoxy)phenyl]benzene-1,2-diamine
CID 154276694
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine
CID 82059610
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
CID 114251516
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
1-[3-[(3-amino-5-chloro-2-pyridinyl)amino]phenyl]ethanone
CID 82059562
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine
CID 130535478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine (CID 82059569) is 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine is CC(C)COc1ccc(Nc2ncc(Cl)cc2N)cc1.
What is the InChIKey of 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine?
The InChIKey is YUQNUCOYVDDPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)9-20-13-5-3-12(4-6-13)19-15-14(17)7-11(16)8-18-15/h3-8,10H,9,17H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine?
5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine has a molecular weight of 291.78 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 82059569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).