6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile

C14H10ClN5 — CID 169103085

IUPAC6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
SMILESCn1ncc2cc(-c3c(C#N)cc(N)nc3Cl)ccc21
InChIInChI=1S/C14H10ClN5/c1-20-11-3-2-8(4-10(11)7-18-20)13-9(6-16)5-12(17)19-14(13)15/h2-5,7H,1H3,(H2,17,19)
InChIKeyPSMAFUDTUXKXDM-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.74
Rot. Bonds1

About 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile

6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile (PubChem CID 169103085) has the molecular formula C14H10ClN5 and a molecular weight of 283.72 g/mol. Its IUPAC name is 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
PubChem CID169103085
Molecular FormulaC14H10ClN5
Molecular Weight283.72 g/mol
Exact Mass283.06
IUPAC Name6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
SMILESCn1ncc2cc(-c3c(C#N)cc(N)nc3Cl)ccc21
InChIInChI=1S/C14H10ClN5/c1-20-11-3-2-8(4-10(11)7-18-20)13-9(6-16)5-12(17)19-14(13)15/h2-5,7H,1H3,(H2,17,19)
InChIKeyPSMAFUDTUXKXDM-UHFFFAOYSA-N
XLogP2.74
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
The IUPAC name of 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile (CID 169103085) is 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
The canonical SMILES for 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile is Cn1ncc2cc(-c3c(C#N)cc(N)nc3Cl)ccc21.
What is the InChIKey of 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
The InChIKey is PSMAFUDTUXKXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5/c1-20-11-3-2-8(4-10(11)7-18-20)13-9(6-16)5-12(17)19-14(13)15/h2-5,7H,1H3,(H2,17,19).
What are the key properties of 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile has a molecular weight of 283.72 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 169103085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).