1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol

C10H15ClN2O — CID 66046118

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
SMILESCc1cnc(N)c(C(O)CCCCl)c1
InChIInChI=1S/C10H15ClN2O/c1-7-5-8(10(12)13-6-7)9(14)3-2-4-11/h5-6,9,14H,2-4H2,1H3,(H2,12,13)
InChIKeySEYUXXCIGVRWJK-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol

1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol (PubChem CID 66046118) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
PubChem CID66046118
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
SMILESCc1cnc(N)c(C(O)CCCCl)c1
InChIInChI=1S/C10H15ClN2O/c1-7-5-8(10(12)13-6-7)9(14)3-2-4-11/h5-6,9,14H,2-4H2,1H3,(H2,12,13)
InChIKeySEYUXXCIGVRWJK-UHFFFAOYSA-N
XLogP2.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 65092617
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CID 115345867
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CID 103452733
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
3-(1-hydrazinylbutyl)-5-methylpyridin-2-amine
CID 105202307
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CID 115414904
3-(1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105201163
S-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875544
(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol
CID 66156485
1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451752
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
CID 55291746
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol (CID 66046118) is 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol is Cc1cnc(N)c(C(O)CCCCl)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol?
The InChIKey is SEYUXXCIGVRWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7-5-8(10(12)13-6-7)9(14)3-2-4-11/h5-6,9,14H,2-4H2,1H3,(H2,12,13).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol?
1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol is sourced from PubChem (CID 66046118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).