4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine

C11H10ClN3 — CID 2815904

IUPAC4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccncc1
InChIInChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
InChIKeyLSMXFIQZRFSQBH-UHFFFAOYSA-N
MW219.68 g/mol
LogP3.06
Rot. Bonds2

About 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine

4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine (PubChem CID 2815904) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
PubChem CID2815904
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccncc1
InChIInChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
InChIKeyLSMXFIQZRFSQBH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
4-chloro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62808962
3-amino-4-(pyridin-4-ylamino)benzonitrile
CID 115127397
4-(2-amino-4-chloroanilino)benzonitrile
CID 29067290
4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115126655
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
4-chloro-1-N-fluorobenzene-1,2-diamine
CID 146389148
4-chloro-1-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
CID 29067664
1-N-(4-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 29066657

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine (CID 2815904) is 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine is Nc1cc(Cl)ccc1Nc1ccncc1.
What is the InChIKey of 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine?
The InChIKey is LSMXFIQZRFSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15).
What are the key properties of 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine?
4-chloro-1-N-pyridin-4-ylbenzene-1,2-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 4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 2815904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).