6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine

C14H16ClN3 — CID 113316745

IUPAC6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
SMILESCC(C)c1cccc(Nc2nc(Cl)ccc2N)c1
InChIInChI=1S/C14H16ClN3/c1-9(2)10-4-3-5-11(8-10)17-14-12(16)6-7-13(15)18-14/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyXAOHKDPNGGTOLR-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.18
Rot. Bonds3

About 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine

6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine (PubChem CID 113316745) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
PubChem CID113316745
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
SMILESCC(C)c1cccc(Nc2nc(Cl)ccc2N)c1
InChIInChI=1S/C14H16ClN3/c1-9(2)10-4-3-5-11(8-10)17-14-12(16)6-7-13(15)18-14/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyXAOHKDPNGGTOLR-UHFFFAOYSA-N
XLogP4.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 102754630
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine
CID 43090207
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
4-chloro-1-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
CID 29067664
3-nitro-2-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 80759844
6-chloro-5-methyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734214
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
4-bromo-2-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
CID 65343158
6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine
CID 115474367

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine (CID 113316745) is 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine is CC(C)c1cccc(Nc2nc(Cl)ccc2N)c1.
What is the InChIKey of 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine?
The InChIKey is XAOHKDPNGGTOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9(2)10-4-3-5-11(8-10)17-14-12(16)6-7-13(15)18-14/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine?
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine has a molecular weight of 261.76 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 113316745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).