6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine

C11H10ClF3N2 — CID 106223110

IUPAC6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine
SMILESC#CCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H10ClF3N2/c1-2-3-4-5-16-10-7-8(11(13,14)15)6-9(12)17-10/h1,6-7H,3-5H2,(H,16,17)
InChIKeyPKUXPZVIACVINW-UHFFFAOYSA-N
MW262.66 g/mol
LogP3.58
Rot. Bonds4

About 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106223110) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106223110
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC Name6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine
SMILESC#CCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H10ClF3N2/c1-2-3-4-5-16-10-7-8(11(13,14)15)6-9(12)17-10/h1,6-7H,3-5H2,(H,16,17)
InChIKeyPKUXPZVIACVINW-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
6-chloro-N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114128759
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 106196196
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
6-chloro-N-[4-(2-methoxyethoxy)butyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716177
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074
N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropanecarboxamide
CID 102716189
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine (CID 106223110) is 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine is C#CCCCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PKUXPZVIACVINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c1-2-3-4-5-16-10-7-8(11(13,14)15)6-9(12)17-10/h1,6-7H,3-5H2,(H,16,17).
What are the key properties of 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 262.66 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106223110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).