4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine

C10H10ClFN2 — CID 170464044

IUPAC4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1cc(F)cnc1Cl
InChIInChI=1S/C10H10ClFN2/c1-13-5-3-2-4-8-6-9(12)7-14-10(8)11/h6-7,13H,3,5H2,1H3
InChIKeyOWVDXHTYEKYBHJ-UHFFFAOYSA-N
MW212.66 g/mol
LogP1.84
Rot. Bonds2

About 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine

4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine (PubChem CID 170464044) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine
PubChem CID170464044
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1cc(F)cnc1Cl
InChIInChI=1S/C10H10ClFN2/c1-13-5-3-2-4-8-6-9(12)7-14-10(8)11/h6-7,13H,3,5H2,1H3
InChIKeyOWVDXHTYEKYBHJ-UHFFFAOYSA-N
XLogP1.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 51.84
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

3-(4-bromobut-1-ynyl)-2-chloro-5-fluoropyridine
CID 170465819
2-chloro-4-fluoro-6-[4-(methylamino)but-1-ynyl]phenol
CID 170464238
2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane
CID 170905430
2,4-difluoro-6-[4-(methylamino)but-1-ynyl]phenol
CID 170464240
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbut-3-yn-1-amine
CID 170464129
4-[2-(aminomethyl)-5-fluorophenyl]-N-methylbut-3-yn-1-amine
CID 170464291
6-chloro-4-[4-(methylamino)but-1-ynyl]pyridazin-3-amine
CID 170464082
4-(2-chloro-3-fluorophenyl)-N-methylbut-3-yn-1-amine
CID 170463861
4-(5-chloro-2-methylphenyl)-N-methylbut-3-yn-1-amine
CID 170463823
4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine
CID 170465388
4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylbut-3-yn-1-amine
CID 170465088
4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-N-methylbut-3-yn-1-amine
CID 170464522

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine (CID 170464044) is 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine is CNCCC#Cc1cc(F)cnc1Cl.
What is the InChIKey of 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine?
The InChIKey is OWVDXHTYEKYBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c1-13-5-3-2-4-8-6-9(12)7-14-10(8)11/h6-7,13H,3,5H2,1H3.
What are the key properties of 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine?
4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine has a molecular weight of 212.66 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-3-pyridinyl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 170464044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).