(3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride

C14H17ClN2O — CID 136821659

IUPAC(3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride
SMILESCCc1ccc(N)c(C(O)c2ccccc2)[nH+]1.[Cl-]
InChIInChI=1S/C14H16N2O.ClH/c1-2-11-8-9-12(15)13(16-11)14(17)10-6-4-3-5-7-10;/h3-9,14,17H,2,15H2,1H3;1H
InChIKeyIYVJESJJTQECNK-UHFFFAOYSA-N
MW264.76 g/mol
LogP-1.27
Rot. Bonds3

About (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride

(3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride (PubChem CID 136821659) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride.

Molecular Properties

Compound Name(3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride
PubChem CID136821659
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride
SMILESCCc1ccc(N)c(C(O)c2ccccc2)[nH+]1.[Cl-]
InChIInChI=1S/C14H16N2O.ClH/c1-2-11-8-9-12(15)13(16-11)14(17)10-6-4-3-5-7-10;/h3-9,14,17H,2,15H2,1H3;1H
InChIKeyIYVJESJJTQECNK-UHFFFAOYSA-N
XLogP-1.27
TPSA60.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2S)-2-amino-1-phenylbutan-1-ol
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(4-ethylthiophen-2-yl)-phenylmethanol
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(5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol
CID 62082072
[(5-ethylfuran-2-yl)-phenylmethyl]hydrazine
CID 105282976
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
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ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 10681846

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride?
The IUPAC name of (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride (CID 136821659) is (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride.
What is the SMILES notation for (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride?
The canonical SMILES for (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride is CCc1ccc(N)c(C(O)c2ccccc2)[nH+]1.[Cl-].
What is the InChIKey of (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride?
The InChIKey is IYVJESJJTQECNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.ClH/c1-2-11-8-9-12(15)13(16-11)14(17)10-6-4-3-5-7-10;/h3-9,14,17H,2,15H2,1H3;1H.
What are the key properties of (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride?
(3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride has a molecular weight of 264.76 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-ethylpyridin-1-ium-2-yl)-phenylmethanol chloride is sourced from PubChem (CID 136821659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).