4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine

C12H14ClN — CID 157150267

IUPAC4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine
SMILESCC(C)(C)c1cc(Cl)nc2c1C=CC2
InChIInChI=1S/C12H14ClN/c1-12(2,3)9-7-11(13)14-10-6-4-5-8(9)10/h4-5,7H,6H2,1-3H3
InChIKeyMUAPGDWTHAGLMF-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.60
Rot. Bonds

About 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine

4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine (PubChem CID 157150267) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine
PubChem CID157150267
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine
SMILESCC(C)(C)c1cc(Cl)nc2c1C=CC2
InChIInChI=1S/C12H14ClN/c1-12(2,3)9-7-11(13)14-10-6-4-5-8(9)10/h4-5,7H,6H2,1-3H3
InChIKeyMUAPGDWTHAGLMF-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(4-tert-butyl-7H-cyclopenta[b]pyridine);methane
CID 157309196
4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine;4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-7H-cyclopenta[d]pyrimidine;4-tert-butyl-1H-indene;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-7H-pyrrolo[3,4-b]pyridine;methane
CID 159137247
5-tert-butyl-6-chloro-1H-indene
CID 58201794
4,5-ditert-butyl-2-chloropyridine
CID 155787493
12,21,27,31-tetratert-butylnonacyclo[20.6.2.24,7.02,18.03,15.05,14.06,11.019,29.026,30]dotriaconta-1(28),2(18),3(15),4(32),5,7(31),9,11,13,16,19,21,23,26,29-pentadecaene
CID 102017947
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
2-tert-butyl-3,4,6-trichloropyridine
CID 165372044
2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
CID 63355304
4-tert-butyl-2-chloro-5-methoxypyridine
CID 177108888
6-tert-butyl-5-methyl-1H-indene
CID 160824528
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
4-(4-tert-butylphenyl)-2,6-dichloropyridine
CID 170341950

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine (CID 157150267) is 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine is CC(C)(C)c1cc(Cl)nc2c1C=CC2.
What is the InChIKey of 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine?
The InChIKey is MUAPGDWTHAGLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-12(2,3)9-7-11(13)14-10-6-4-5-8(9)10/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine?
4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine has a molecular weight of 207.70 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 157150267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).