6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine

C10H10ClF3N4 — CID 144598755

IUPAC6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine
SMILESCC(Nc1nn(C)c2cc(Cl)ncc12)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4/c1-5(10(12,13)14)16-9-6-4-15-8(11)3-7(6)18(2)17-9/h3-5H,1-2H3,(H,16,17)
InChIKeyBPCNOJDBLQLIDG-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.98
Rot. Bonds2

About 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine

6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 144598755) has the molecular formula C10H10ClF3N4 and a molecular weight of 278.67 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine
PubChem CID144598755
Molecular FormulaC10H10ClF3N4
Molecular Weight278.67 g/mol
Exact Mass278.05
IUPAC Name6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine
SMILESCC(Nc1nn(C)c2cc(Cl)ncc12)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4/c1-5(10(12,13)14)16-9-6-4-15-8(11)3-7(6)18(2)17-9/h3-5H,1-2H3,(H,16,17)
InChIKeyBPCNOJDBLQLIDG-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 24971415
CID 24971415
CID 53374001
CID 53374001
CID 75440342
CID 75440342
CID 56661517
CID 56661517
CID 137633289
CID 137633289
CID 137651968
CID 137651968
CID 177644470
CID 177644470
CID 177652506
CID 177652506
CID 177656913
CID 177656913
CID 177657433
CID 177657433
CID 118326017
CID 118326017
CID 118335321
CID 118335321

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine (CID 144598755) is 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine is CC(Nc1nn(C)c2cc(Cl)ncc12)C(F)(F)F.
What is the InChIKey of 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is BPCNOJDBLQLIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4/c1-5(10(12,13)14)16-9-6-4-15-8(11)3-7(6)18(2)17-9/h3-5H,1-2H3,(H,16,17).
What are the key properties of 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine?
6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 278.67 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 144598755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).