N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine

C10H11FN2 — CID 130694258

IUPACN-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine
SMILESC#CC(C)NCc1ccc(F)nc1
InChIInChI=1S/C10H11FN2/c1-3-8(2)12-6-9-4-5-10(11)13-7-9/h1,4-5,7-8,12H,6H2,2H3
InChIKeyBASCQVFWVMPBDN-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.33
Rot. Bonds3

About N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine

N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine (PubChem CID 130694258) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine
PubChem CID130694258
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC NameN-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine
SMILESC#CC(C)NCc1ccc(F)nc1
InChIInChI=1S/C10H11FN2/c1-3-8(2)12-6-9-4-5-10(11)13-7-9/h1,4-5,7-8,12H,6H2,2H3
InChIKeyBASCQVFWVMPBDN-UHFFFAOYSA-N
XLogP1.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
CID 162422933
N-[(4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415274
N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine
CID 114415538
4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752
sodium;(1R)-N-[[6-[(6-fluoro-3-pyridinyl)methoxy]-3-pyridinyl]methyl]-1-phenylethanamine;methanolate;(1R)-N-[[6-[(6-methoxy-3-pyridinyl)methoxy]-3-pyridinyl]methyl]-1-phenylethanamine
CID 158134934
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415529
5-[(but-3-yn-2-ylamino)methyl]furan-2-carboxylic acid
CID 114414880
3-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 62996928
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-yn-2-amine
CID 114415329

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine?
The IUPAC name of N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine (CID 130694258) is N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine.
What is the SMILES notation for N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine?
The canonical SMILES for N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine is C#CC(C)NCc1ccc(F)nc1.
What is the InChIKey of N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine?
The InChIKey is BASCQVFWVMPBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-8(2)12-6-9-4-5-10(11)13-7-9/h1,4-5,7-8,12H,6H2,2H3.
What are the key properties of N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine?
N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine has a molecular weight of 178.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-3-pyridinyl)methyl]but-3-yn-2-amine is sourced from PubChem (CID 130694258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).