(5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol

C9H11ClN2O — CID 156540099

IUPAC(5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol
SMILESNc1cnc(C(O)C2CC2)c(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-7-3-6(11)4-12-8(7)9(13)5-1-2-5/h3-5,9,13H,1-2,11H2
InChIKeyKKMXGZKLGAHSCY-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.76
Rot. Bonds2

About (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol

(5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol (PubChem CID 156540099) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol
PubChem CID156540099
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name(5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol
SMILESNc1cnc(C(O)C2CC2)c(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-7-3-6(11)4-12-8(7)9(13)5-1-2-5/h3-5,9,13H,1-2,11H2
InChIKeyKKMXGZKLGAHSCY-UHFFFAOYSA-N
XLogP1.76
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol?
The IUPAC name of (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol (CID 156540099) is (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol.
What is the SMILES notation for (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol?
The canonical SMILES for (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol is Nc1cnc(C(O)C2CC2)c(Cl)c1.
What is the InChIKey of (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol?
The InChIKey is KKMXGZKLGAHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-3-6(11)4-12-8(7)9(13)5-1-2-5/h3-5,9,13H,1-2,11H2.
What are the key properties of (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol?
(5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol has a molecular weight of 198.65 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-chloro-2-pyridinyl)-cyclopropylmethanol is sourced from PubChem (CID 156540099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).