[6-(1-chloroethyl)-2-pyridinyl]methanamine

C8H11ClN2 — CID 142404245

IUPAC[6-(1-chloroethyl)-2-pyridinyl]methanamine
SMILESCC(Cl)c1cccc(CN)n1
InChIInChI=1S/C8H11ClN2/c1-6(9)8-4-2-3-7(5-10)11-8/h2-4,6H,5,10H2,1H3
InChIKeyFIKHNVWJNLVJQF-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.84
Rot. Bonds2

About [6-(1-chloroethyl)-2-pyridinyl]methanamine

[6-(1-chloroethyl)-2-pyridinyl]methanamine (PubChem CID 142404245) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is [6-(1-chloroethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1-chloroethyl)-2-pyridinyl]methanamine
PubChem CID142404245
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name[6-(1-chloroethyl)-2-pyridinyl]methanamine
SMILESCC(Cl)c1cccc(CN)n1
InChIInChI=1S/C8H11ClN2/c1-6(9)8-4-2-3-7(5-10)11-8/h2-4,6H,5,10H2,1H3
InChIKeyFIKHNVWJNLVJQF-UHFFFAOYSA-N
XLogP1.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
[6-(difluoromethyl)-2-pyridinyl]methanamine
CID 84650730
2-(6-propan-2-yl-2-pyridinyl)ethanamine
CID 20823809
[6-(1-methoxypropyl)-2-pyridinyl]methanamine
CID 142404314
[6-(3-methylbutyl)-2-pyridinyl]methanamine
CID 54541845
O-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]hydroxylamine
CID 69456471
2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane
CID 156638943
2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992
6-(aminomethyl)-N,N-dimethylpyridin-2-amine
CID 62300498
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
CID 89375470
[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801

Frequently Asked Questions

What is the IUPAC name of [6-(1-chloroethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(1-chloroethyl)-2-pyridinyl]methanamine (CID 142404245) is [6-(1-chloroethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(1-chloroethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(1-chloroethyl)-2-pyridinyl]methanamine is CC(Cl)c1cccc(CN)n1.
What is the InChIKey of [6-(1-chloroethyl)-2-pyridinyl]methanamine?
The InChIKey is FIKHNVWJNLVJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6(9)8-4-2-3-7(5-10)11-8/h2-4,6H,5,10H2,1H3.
What are the key properties of [6-(1-chloroethyl)-2-pyridinyl]methanamine?
[6-(1-chloroethyl)-2-pyridinyl]methanamine has a molecular weight of 170.64 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 [6-(1-chloroethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 142404245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).