[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol

C12H15ClN2O — CID 114920172

IUPAC[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol
SMILESC=CCN(CC=C)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H15ClN2O/c1-3-5-15(6-4-2)12-7-10(9-16)11(13)8-14-12/h3-4,7-8,16H,1-2,5-6,9H2
InChIKeyWGEUCWFLCYKOLJ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.41
Rot. Bonds6

About [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol

[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol (PubChem CID 114920172) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol
PubChem CID114920172
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol
SMILESC=CCN(CC=C)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H15ClN2O/c1-3-5-15(6-4-2)12-7-10(9-16)11(13)8-14-12/h3-4,7-8,16H,1-2,5-6,9H2
InChIKeyWGEUCWFLCYKOLJ-UHFFFAOYSA-N
XLogP2.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899
[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol
CID 114920224
[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol
CID 114845097
[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 114920412
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine
CID 19752277
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920233

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol (CID 114920172) is [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol is C=CCN(CC=C)c1cc(CO)c(Cl)cn1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol?
The InChIKey is WGEUCWFLCYKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-5-15(6-4-2)12-7-10(9-16)11(13)8-14-12/h3-4,7-8,16H,1-2,5-6,9H2.
What are the key properties of [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol?
[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol has a molecular weight of 238.72 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol is sourced from PubChem (CID 114920172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).