3-chloro-2-N-phenylpyridine-2,5-diamine

C11H10ClN3 — CID 82472496

IUPAC3-chloro-2-N-phenylpyridine-2,5-diamine
SMILESNc1cnc(Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C11H10ClN3/c12-10-6-8(13)7-14-11(10)15-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,15)
InChIKeyRRVBHTXOIHFKPV-UHFFFAOYSA-N
MW219.68 g/mol
LogP3.06
Rot. Bonds2

About 3-chloro-2-N-phenylpyridine-2,5-diamine

3-chloro-2-N-phenylpyridine-2,5-diamine (PubChem CID 82472496) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 3-chloro-2-N-phenylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-phenylpyridine-2,5-diamine
PubChem CID82472496
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name3-chloro-2-N-phenylpyridine-2,5-diamine
SMILESNc1cnc(Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C11H10ClN3/c12-10-6-8(13)7-14-11(10)15-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,15)
InChIKeyRRVBHTXOIHFKPV-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-phenylpyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-phenylpyridine-2,5-diamine (CID 82472496) is 3-chloro-2-N-phenylpyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-phenylpyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-phenylpyridine-2,5-diamine is Nc1cnc(Nc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-N-phenylpyridine-2,5-diamine?
The InChIKey is RRVBHTXOIHFKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-10-6-8(13)7-14-11(10)15-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,15).
What are the key properties of 3-chloro-2-N-phenylpyridine-2,5-diamine?
3-chloro-2-N-phenylpyridine-2,5-diamine has a molecular weight of 219.68 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-phenylpyridine-2,5-diamine is sourced from PubChem (CID 82472496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).