3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol

C9H13ClN2O — CID 165445125

IUPAC3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6(4-11)9(13)7-2-3-12-5-8(7)10/h2-3,5-6,9,13H,4,11H2,1H3
InChIKeyRRYRMKVTPGZNHG-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol

3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol (PubChem CID 165445125) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
PubChem CID165445125
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6(4-11)9(13)7-2-3-12-5-8(7)10/h2-3,5-6,9,13H,4,11H2,1H3
InChIKeyRRYRMKVTPGZNHG-UHFFFAOYSA-N
XLogP1.36
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Chloropyridin-4-yl)methanol
CID 7062237
(6-Chloropyridin-3-yl)methanol
CID 177161
(2-Chloropyridin-3-yl)methanol
CID 2763647
alpha-Methyl-4-pyridinemethanol
CID 90919
2-Amino-1-(pyridin-3-yl)ethan-1-ol
CID 3710594
(S)-(-)-alpha-Methyl-4-pyridinemethanol
CID 10920507
(1R)-1-(pyridin-4-yl)ethan-1-ol
CID 11804747
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
3-Pyridinemethanol, 2-chloro-alpha-phenyl-
CID 3061980
(4,6-Dichloropyridin-3-yl)methanol
CID 2762727
(2-Chloro-3-Fluoropyridin-4-Yl)Methanol
CID 54759140
1-(3-Chloropyridin-4-yl)ethan-1-ol
CID 67428643

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol (CID 165445125) is 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol is CC(CN)C(O)c1ccncc1Cl.
What is the InChIKey of 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is RRYRMKVTPGZNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(4-11)9(13)7-2-3-12-5-8(7)10/h2-3,5-6,9,13H,4,11H2,1H3.
What are the key properties of 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol?
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 165445125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).