6-fluoro-N-pent-3-ynylpyridin-2-amine

C10H11FN2 — CID 106196296

IUPAC6-fluoro-N-pent-3-ynylpyridin-2-amine
SMILESCC#CCCNc1cccc(F)n1
InChIInChI=1S/C10H11FN2/c1-2-3-4-8-12-10-7-5-6-9(11)13-10/h5-7H,4,8H2,1H3,(H,12,13)
InChIKeyLVRWJRHJZPNBFH-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.05
Rot. Bonds3

About 6-fluoro-N-pent-3-ynylpyridin-2-amine

6-fluoro-N-pent-3-ynylpyridin-2-amine (PubChem CID 106196296) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-fluoro-N-pent-3-ynylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-pent-3-ynylpyridin-2-amine
PubChem CID106196296
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name6-fluoro-N-pent-3-ynylpyridin-2-amine
SMILESCC#CCCNc1cccc(F)n1
InChIInChI=1S/C10H11FN2/c1-2-3-4-8-12-10-7-5-6-9(11)13-10/h5-7H,4,8H2,1H3,(H,12,13)
InChIKeyLVRWJRHJZPNBFH-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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'}

Analyze 6-fluoro-N-pent-3-ynylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
N-(3,3-difluoropropyl)-6-fluoropyridin-2-amine
CID 130610509
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
6-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyridin-2-amine
CID 126990897
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
6-fluoro-N-prop-2-enylpyridin-2-amine
CID 103624863
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine
CID 116812922
6-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 103768547
2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644585
N-(2-ethylbutyl)-6-fluoropyridin-2-amine
CID 75355438
N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
CID 64597219

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pent-3-ynylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-pent-3-ynylpyridin-2-amine (CID 106196296) is 6-fluoro-N-pent-3-ynylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-pent-3-ynylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-pent-3-ynylpyridin-2-amine is CC#CCCNc1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-pent-3-ynylpyridin-2-amine?
The InChIKey is LVRWJRHJZPNBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-2-3-4-8-12-10-7-5-6-9(11)13-10/h5-7H,4,8H2,1H3,(H,12,13).
What are the key properties of 6-fluoro-N-pent-3-ynylpyridin-2-amine?
6-fluoro-N-pent-3-ynylpyridin-2-amine has a molecular weight of 178.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pent-3-ynylpyridin-2-amine is sourced from PubChem (CID 106196296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).