6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine

C11H10ClF3N2 — CID 129271181

IUPAC6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine
SMILESCc1cn(C(C)C(F)(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C11H10ClF3N2/c1-6-5-17(7(2)11(13,14)15)9-3-10(12)16-4-8(6)9/h3-5,7H,1-2H3
InChIKeyVDCRHFKZSMPXGP-UHFFFAOYSA-N
MW262.66 g/mol
LogP4.12
Rot. Bonds1

About 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine

6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine (PubChem CID 129271181) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine
PubChem CID129271181
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC Name6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine
SMILESCc1cn(C(C)C(F)(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C11H10ClF3N2/c1-6-5-17(7(2)11(13,14)15)9-3-10(12)16-4-8(6)9/h3-5,7H,1-2H3
InChIKeyVDCRHFKZSMPXGP-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorophenyl)indolizine
CID 346941
1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 57402656
1-[(6-Chloropyridin-3-yl)methyl]indole
CID 3805426
4-chloro-1H-pyrrolo[3,2-c]pyridine
CID 14114384
4,6-Dichloro-1H-pyrrolo[3,2-c]pyridine
CID 5358988
1-[2-(3-Chlorophenyl)ethynyl]-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
CID 44453214
2-Chloro-8-fluoro-5-methylindolo[3,2-c]quinoline
CID 118733615
2-(3-Chlorophenyl)indolizine
CID 868222
3-Chloro-1-(3-pyridylmethyl)-6-[3-
CID 124176464
6-Chloro-3-((4-methyl-1-piperazinyl)methyl)-1H-pyrrolo(3,2-c)pyridine
CID 5746390
1-benzyl-6-chloro-1H-pyrrolo(3,2-c)pyridine-7-carbonitrile
CID 12490983
6-Chloro-1H-pyrrolo(3,2-c)pyridine
CID 12575516

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine (CID 129271181) is 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine is Cc1cn(C(C)C(F)(F)F)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine?
The InChIKey is VDCRHFKZSMPXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c1-6-5-17(7(2)11(13,14)15)9-3-10(12)16-4-8(6)9/h3-5,7H,1-2H3.
What are the key properties of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine?
6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine has a molecular weight of 262.66 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 129271181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).