4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

C16H10Cl2N6 — CID 71580917

IUPAC4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3cccnc3Cl)c3cnc(Cl)cc32)n1
InChIInChI=1S/C16H10Cl2N6/c17-13-6-12-10(7-22-13)11(9-2-1-4-20-15(9)18)8-24(12)14-3-5-21-16(19)23-14/h1-8H,(H2,19,21,23)
InChIKeyUNLYRICJXHKLFW-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.77
Rot. Bonds2

About 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (PubChem CID 71580917) has the molecular formula C16H10Cl2N6 and a molecular weight of 357.20 g/mol. Its IUPAC name is 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
PubChem CID71580917
Molecular FormulaC16H10Cl2N6
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3cccnc3Cl)c3cnc(Cl)cc32)n1
InChIInChI=1S/C16H10Cl2N6/c17-13-6-12-10(7-22-13)11(9-2-1-4-20-15(9)18)8-24(12)14-3-5-21-16(19)23-14/h1-8H,(H2,19,21,23)
InChIKeyUNLYRICJXHKLFW-UHFFFAOYSA-N
XLogP3.77
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (CID 71580917) is 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is Nc1nccc(-n2cc(-c3cccnc3Cl)c3cnc(Cl)cc32)n1.
What is the InChIKey of 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The InChIKey is UNLYRICJXHKLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6/c17-13-6-12-10(7-22-13)11(9-2-1-4-20-15(9)18)8-24(12)14-3-5-21-16(19)23-14/h1-8H,(H2,19,21,23).
What are the key properties of 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine has a molecular weight of 357.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 71580917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).