3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine

C12H12ClN3O — CID 82480714

IUPAC3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1ccc(Nc2ncc(N)cc2Cl)cc1
InChIInChI=1S/C12H12ClN3O/c1-17-10-4-2-9(3-5-10)16-12-11(13)6-8(14)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyVICQQOIHMAVFOJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.07
Rot. Bonds3

About 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine

3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine (PubChem CID 82480714) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
PubChem CID82480714
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1ccc(Nc2ncc(N)cc2Cl)cc1
InChIInChI=1S/C12H12ClN3O/c1-17-10-4-2-9(3-5-10)16-12-11(13)6-8(14)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyVICQQOIHMAVFOJ-UHFFFAOYSA-N
XLogP3.07
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine
CID 114046251
3-chloro-2-N-methylpyridine-2,5-diamine
CID 23112230
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
CID 82490180
3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
CID 114262554
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine (CID 82480714) is 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine is COc1ccc(Nc2ncc(N)cc2Cl)cc1.
What is the InChIKey of 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine?
The InChIKey is VICQQOIHMAVFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-17-10-4-2-9(3-5-10)16-12-11(13)6-8(14)7-15-12/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine?
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine has a molecular weight of 249.70 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 82480714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).